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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/VL30-22mer-dcfea150/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/VL30-22mer-dcfea150/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCUGCCUCCCACUCC
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -82.952021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952021 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -141.809433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.809433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.809433 (E_RNA)
where:
Base-Base interactions energy: -73.696
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.226
local terms energy: -67.887732
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.055
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -118.698055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.698055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.698055 (E_RNA)
where:
Base-Base interactions energy: -54.392
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.033
local terms energy: -64.272676
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -119.122181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.122181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.122181 (E_RNA)
where:
Base-Base interactions energy: -59.567
where: short stacking energy: -42.304
Base-Backbone interact. energy: -0.132
local terms energy: -59.423404
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -9.415
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -132.973013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.973013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.973013 (E_RNA)
where:
Base-Base interactions energy: -64.134
where: short stacking energy: -49.705
Base-Backbone interact. energy: 0.557
local terms energy: -69.396263
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -110.645779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.645779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.645779 (E_RNA)
where:
Base-Base interactions energy: -49.164
where: short stacking energy: -49.164
Base-Backbone interact. energy: -0.055
local terms energy: -61.426862
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -110.386940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.386940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.386940 (E_RNA)
where:
Base-Base interactions energy: -55.390
where: short stacking energy: -43.870
Base-Backbone interact. energy: -0.025
local terms energy: -54.972326
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -87.350031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.350031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.350031 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -27.218
Base-Backbone interact. energy: -0.084
local terms energy: -59.352336
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.017250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.017250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.017250 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.024
local terms energy: -59.248446
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -9.174
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -91.174772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.174772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.174772 (E_RNA)
where:
Base-Base interactions energy: -47.350
where: short stacking energy: -30.566
Base-Backbone interact. energy: 0.437
local terms energy: -44.261420
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -82.181478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.181478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.181478 (E_RNA)
where:
Base-Base interactions energy: -1.077
where: short stacking energy: -1.077
Base-Backbone interact. energy: -0.000
local terms energy: -81.104265
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -18.403
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -145.092147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.092147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.092147 (E_RNA)
where:
Base-Base interactions energy: -65.770
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.026
local terms energy: -79.295339
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -122.085737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.085737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.085737 (E_RNA)
where:
Base-Base interactions energy: -57.966
where: short stacking energy: -45.935
Base-Backbone interact. energy: -0.168
local terms energy: -63.951248
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -128.647816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.647816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.647816 (E_RNA)
where:
Base-Base interactions energy: -68.779
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.125
local terms energy: -59.743839
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -136.529021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.529021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.529021 (E_RNA)
where:
Base-Base interactions energy: -72.020
where: short stacking energy: -43.840
Base-Backbone interact. energy: 1.339
local terms energy: -65.848550
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -121.513097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.513097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.513097 (E_RNA)
where:
Base-Base interactions energy: -60.685
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.175
local terms energy: -60.653275
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -93.261873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.261873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.261873 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.334
local terms energy: -53.762355
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -9.080
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -99.575879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.575879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.575879 (E_RNA)
where:
Base-Base interactions energy: -57.845
where: short stacking energy: -36.620
Base-Backbone interact. energy: -0.234
local terms energy: -41.496643
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -101.708672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.708672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.708672 (E_RNA)
where:
Base-Base interactions energy: -55.229
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.076
local terms energy: -46.403661
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -101.075506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.075506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.075506 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -22.543
Base-Backbone interact. energy: -0.837
local terms energy: -44.873859
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -75.283830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.283830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.283830 (E_RNA)
where:
Base-Base interactions energy: -36.640
where: short stacking energy: -34.046
Base-Backbone interact. energy: -1.976
local terms energy: -36.667770
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -156.710252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.710252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.710252 (E_RNA)
where:
Base-Base interactions energy: -77.729
where: short stacking energy: -60.654
Base-Backbone interact. energy: 0.378
local terms energy: -79.359318
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -152.442117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.442117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.442117 (E_RNA)
where:
Base-Base interactions energy: -81.656
where: short stacking energy: -59.360
Base-Backbone interact. energy: 0.909
local terms energy: -71.695079
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -164.612409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.612409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.612409 (E_RNA)
where:
Base-Base interactions energy: -104.799
where: short stacking energy: -49.520
Base-Backbone interact. energy: -0.115
local terms energy: -59.698783
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -137.955395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.955395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.955395 (E_RNA)
where:
Base-Base interactions energy: -69.426
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.011
local terms energy: -68.518885
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -115.964152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.964152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.964152 (E_RNA)
where:
Base-Base interactions energy: -49.695
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.534
local terms energy: -65.735160
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -106.348727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.348727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.348727 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.172
local terms energy: -57.215229
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -132.360079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.360079 (E_RNA)
where:
Base-Base interactions energy: -69.487
where: short stacking energy: -39.291
Base-Backbone interact. energy: -0.000
local terms energy: -62.873121
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.248
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -90.949761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.949761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.949761 (E_RNA)
where:
Base-Base interactions energy: -36.663
where: short stacking energy: -35.756
Base-Backbone interact. energy: -0.083
local terms energy: -54.203850
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -88.839320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.839320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.839320 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -40.508
Base-Backbone interact. energy: -0.585
local terms energy: -46.974474
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -3.500
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -88.140668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140668 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -24.390
Base-Backbone interact. energy: -0.355
local terms energy: -49.956869
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -166.099967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.099967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.099967 (E_RNA)
where:
Base-Base interactions energy: -91.072
where: short stacking energy: -61.384
Base-Backbone interact. energy: -0.109
local terms energy: -74.919478
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -12.086
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -178.403985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.403985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.403985 (E_RNA)
where:
Base-Base interactions energy: -115.978
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.184
local terms energy: -62.241940
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -10.838
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -156.581261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.581261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.581261 (E_RNA)
where:
Base-Base interactions energy: -81.524
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.129
local terms energy: -74.927325
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -127.967202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.967202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.967202 (E_RNA)
where:
Base-Base interactions energy: -56.000
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.114
local terms energy: -71.853771
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -11.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -119.400114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.400114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.400114 (E_RNA)
where:
Base-Base interactions energy: -60.172
where: short stacking energy: -45.757
Base-Backbone interact. energy: -0.234
local terms energy: -58.994510
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -5.663
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -95.017744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.017744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.017744 (E_RNA)
where:
Base-Base interactions energy: -40.535
where: short stacking energy: -40.535
Base-Backbone interact. energy: 4.446
local terms energy: -58.929340
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -117.388297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.388297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.388297 (E_RNA)
where:
Base-Base interactions energy: -60.373
where: short stacking energy: -35.543
Base-Backbone interact. energy: -0.646
local terms energy: -56.368937
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -83.790570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.790570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.790570 (E_RNA)
where:
Base-Base interactions energy: -30.568
where: short stacking energy: -30.568
Base-Backbone interact. energy: -0.182
local terms energy: -53.040523
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: 0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -89.222797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.222797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.222797 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -32.628
Base-Backbone interact. energy: -0.256
local terms energy: -56.338814
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -5.705
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -76.991064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991064 (E_RNA)
where:
Base-Base interactions energy: -28.821
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.740
local terms energy: -47.431000
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -6.405
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: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -197.906954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.906954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.906954 (E_RNA)
where:
Base-Base interactions energy: -127.874
where: short stacking energy: -58.151
Base-Backbone interact. energy: 1.331
local terms energy: -71.364076
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -159.234634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.234634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.234634 (E_RNA)
where:
Base-Base interactions energy: -88.757
where: short stacking energy: -55.915
Base-Backbone interact. energy: -0.443
local terms energy: -70.034902
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -154.229263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.229263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.229263 (E_RNA)
where:
Base-Base interactions energy: -85.708
where: short stacking energy: -50.505
Base-Backbone interact. energy: 1.788
local terms energy: -70.309824
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -14.186
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: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -120.493852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.493852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.493852 (E_RNA)
where:
Base-Base interactions energy: -53.776
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.205
local terms energy: -66.513171
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -123.115472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.115472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.115472 (E_RNA)
where:
Base-Base interactions energy: -59.787
where: short stacking energy: -59.787
Base-Backbone interact. energy: -0.084
local terms energy: -63.244506
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -0.126
tors. eta vs tors. theta energy: -13.961
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: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -109.405510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.405510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.405510 (E_RNA)
where:
Base-Base interactions energy: -50.747
where: short stacking energy: -38.243
Base-Backbone interact. energy: -0.096
local terms energy: -58.562389
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -123.266459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.266459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.266459 (E_RNA)
where:
Base-Base interactions energy: -64.859
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.918
local terms energy: -57.489564
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -91.536174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.536174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.536174 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.181
local terms energy: -58.394929
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.053
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -98.467203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.467203 (E_RNA)
where:
Base-Base interactions energy: -46.409
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.043
local terms energy: -52.015404
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -81.369928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.369928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.369928 (E_RNA)
where:
Base-Base interactions energy: -25.201
where: short stacking energy: -25.201
Base-Backbone interact. energy: 0.031
local terms energy: -56.199619
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.416
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: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -191.756010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.756010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.756010 (E_RNA)
where:
Base-Base interactions energy: -111.278
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.204
local terms energy: -80.274078
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -184.063440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.063440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.063440 (E_RNA)
where:
Base-Base interactions energy: -104.293
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.142
local terms energy: -79.628422
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -155.863354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.863354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.863354 (E_RNA)
where:
Base-Base interactions energy: -96.311
where: short stacking energy: -43.294
Base-Backbone interact. energy: -0.152
local terms energy: -59.400707
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -133.417442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.417442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.417442 (E_RNA)
where:
Base-Base interactions energy: -74.193
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.409
local terms energy: -58.814789
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -8.413
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: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -121.924621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.924621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.924621 (E_RNA)
where:
Base-Base interactions energy: -67.145
where: short stacking energy: -40.203
Base-Backbone interact. energy: -0.009
local terms energy: -54.769944
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -130.419876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.419876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.419876 (E_RNA)
where:
Base-Base interactions energy: -74.973
where: short stacking energy: -43.709
Base-Backbone interact. energy: -0.098
local terms energy: -55.349008
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -96.826112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826112 (E_RNA)
where:
Base-Base interactions energy: -44.600
where: short stacking energy: -35.071
Base-Backbone interact. energy: 0.585
local terms energy: -52.811072
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -100.743516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.743516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.743516 (E_RNA)
where:
Base-Base interactions energy: -52.745
where: short stacking energy: -51.010
Base-Backbone interact. energy: 0.909
local terms energy: -48.907695
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -92.263127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.263127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.263127 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.068
local terms energy: -53.460154
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -79.286766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.286766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.286766 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.481
local terms energy: -45.277780
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -205.572269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.572269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.572269 (E_RNA)
where:
Base-Base interactions energy: -126.893
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.058
local terms energy: -78.620968
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -183.158307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.158307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.158307 (E_RNA)
where:
Base-Base interactions energy: -112.327
where: short stacking energy: -51.168
Base-Backbone interact. energy: -0.276
local terms energy: -70.555439
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -6.329
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: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -162.526556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.526556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.526556 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -44.002
Base-Backbone interact. energy: -0.030
local terms energy: -65.452832
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -13.833
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -188.234979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.234979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.234979 (E_RNA)
where:
Base-Base interactions energy: -116.554
where: short stacking energy: -58.935
Base-Backbone interact. energy: -0.009
local terms energy: -71.671665
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -143.825933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.825933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.825933 (E_RNA)
where:
Base-Base interactions energy: -87.527
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.554
local terms energy: -55.744472
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -125.764068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.764068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.764068 (E_RNA)
where:
Base-Base interactions energy: -70.421
where: short stacking energy: -38.242
Base-Backbone interact. energy: 1.181
local terms energy: -56.524267
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -8.176
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: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -100.654541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.654541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.654541 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -42.879
Base-Backbone interact. energy: 0.569
local terms energy: -58.344213
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -5.308
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: 8
Temperature: 1.250000
Total energy: -125.448858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.448858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.448858 (E_RNA)
where:
Base-Base interactions energy: -64.993
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.001
local terms energy: -60.454820
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -7.081
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -88.853401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.853401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.853401 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.100
local terms energy: -48.632936
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -1.141
tors. eta vs tors. theta energy: -5.312
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: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -79.710688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.710688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.710688 (E_RNA)
where:
Base-Base interactions energy: -21.676
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.181
local terms energy: -57.853142
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -213.891472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.891472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.891472 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -69.893
Base-Backbone interact. energy: -1.228
local terms energy: -81.698480
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -194.055744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.055744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.055744 (E_RNA)
where:
Base-Base interactions energy: -131.048
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.824
local terms energy: -62.183113
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -1.330
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: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -169.044536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.044536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.044536 (E_RNA)
where:
Base-Base interactions energy: -100.828
where: short stacking energy: -51.742
Base-Backbone interact. energy: -0.109
local terms energy: -68.107056
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -11.607
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: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -164.869042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.869042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.869042 (E_RNA)
where:
Base-Base interactions energy: -93.596
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.054
local terms energy: -71.219291
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -131.515811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.515811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.515811 (E_RNA)
where:
Base-Base interactions energy: -74.931
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.116
local terms energy: -56.468674
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -109.089139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.089139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.089139 (E_RNA)
where:
Base-Base interactions energy: -48.268
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.199
local terms energy: -60.622406
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -85.862940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.862940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.862940 (E_RNA)
where:
Base-Base interactions energy: -33.076
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.493
local terms energy: -52.293927
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -87.619340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.619340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.619340 (E_RNA)
where:
Base-Base interactions energy: -37.663
where: short stacking energy: -28.981
Base-Backbone interact. energy: -0.265
local terms energy: -49.691284
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -84.830948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.830948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.830948 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -22.402
Base-Backbone interact. energy: -0.228
local terms energy: -49.178631
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -90.255642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255642 (E_RNA)
where:
Base-Base interactions energy: -35.796
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.110
local terms energy: -54.350468
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -212.402920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.402920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.402920 (E_RNA)
where:
Base-Base interactions energy: -135.139
where: short stacking energy: -69.286
Base-Backbone interact. energy: -0.148
local terms energy: -77.115271
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -181.825035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.825035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.825035 (E_RNA)
where:
Base-Base interactions energy: -114.711
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.192
local terms energy: -66.922588
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -15.875
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -183.655606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.655606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.655606 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.032
local terms energy: -72.030832
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -174.907042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.907042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.907042 (E_RNA)
where:
Base-Base interactions energy: -104.340
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.109
local terms energy: -70.457502
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -18.457
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: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -141.785729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.785729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.785729 (E_RNA)
where:
Base-Base interactions energy: -72.525
where: short stacking energy: -49.184
Base-Backbone interact. energy: -0.024
local terms energy: -69.236660
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -92.964827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964827 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -39.117
Base-Backbone interact. energy: 0.206
local terms energy: -54.054024
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -93.297905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.297905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.297905 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -28.090
Base-Backbone interact. energy: 1.123
local terms energy: -52.772527
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -8.037
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -92.487649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.487649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.487649 (E_RNA)
where:
Base-Base interactions energy: -43.161
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.228
local terms energy: -49.099282
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -90.211508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.211508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.211508 (E_RNA)
where:
Base-Base interactions energy: -32.719
where: short stacking energy: -31.207
Base-Backbone interact. energy: -0.135
local terms energy: -57.357528
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -80.090271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090271 (E_RNA)
where:
Base-Base interactions energy: -26.996
where: short stacking energy: -26.994
Base-Backbone interact. energy: -0.242
local terms energy: -52.851982
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -219.057702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.057702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.057702 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.236
local terms energy: -81.030359
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -19.942
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: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -175.756700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.756700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.756700 (E_RNA)
where:
Base-Base interactions energy: -107.233
where: short stacking energy: -48.904
Base-Backbone interact. energy: -0.339
local terms energy: -68.184911
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -169.368631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.368631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.368631 (E_RNA)
where:
Base-Base interactions energy: -105.187
where: short stacking energy: -50.832
Base-Backbone interact. energy: -0.174
local terms energy: -64.008184
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -140.859133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.859133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.859133 (E_RNA)
where:
Base-Base interactions energy: -77.476
where: short stacking energy: -47.725
Base-Backbone interact. energy: -0.106
local terms energy: -63.277131
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -174.694556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.694556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.694556 (E_RNA)
where:
Base-Base interactions energy: -104.835
where: short stacking energy: -55.248
Base-Backbone interact. energy: -0.001
local terms energy: -69.858999
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -100.462991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.462991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.462991 (E_RNA)
where:
Base-Base interactions energy: -50.826
where: short stacking energy: -37.304
Base-Backbone interact. energy: -0.038
local terms energy: -49.599043
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -97.814096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.814096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.814096 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -42.444
Base-Backbone interact. energy: 1.564
local terms energy: -56.934811
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -96.442123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.442123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.442123 (E_RNA)
where:
Base-Base interactions energy: -38.424
where: short stacking energy: -38.424
Base-Backbone interact. energy: -0.370
local terms energy: -57.647344
where:
bonds (distance) C4'-P energy: -7.675
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.297
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: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -81.241647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.241647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.241647 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.068
local terms energy: -50.490386
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -83.477302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477302 (E_RNA)
where:
Base-Base interactions energy: -29.964
where: short stacking energy: -27.570
Base-Backbone interact. energy: 0.138
local terms energy: -53.651374
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -5.909
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: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -212.368692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.368692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.368692 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -73.509
Base-Backbone interact. energy: -0.170
local terms energy: -70.846487
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -189.605722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605722 (E_RNA)
where:
Base-Base interactions energy: -119.924
where: short stacking energy: -66.528
Base-Backbone interact. energy: 1.778
local terms energy: -71.460226
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -145.729116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.729116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.729116 (E_RNA)
where:
Base-Base interactions energy: -86.390
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.010
local terms energy: -59.329155
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -10.365
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -163.059204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.059204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.059204 (E_RNA)
where:
Base-Base interactions energy: -105.341
where: short stacking energy: -48.095
Base-Backbone interact. energy: 0.074
local terms energy: -57.792253
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -178.916549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.916549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.916549 (E_RNA)
where:
Base-Base interactions energy: -109.561
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.280
local terms energy: -69.076146
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -15.900
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: 12
Temperature: 1.150000
Total energy: -110.469276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.469276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.469276 (E_RNA)
where:
Base-Base interactions energy: -55.935
where: short stacking energy: -36.207
Base-Backbone interact. energy: 0.875
local terms energy: -55.409426
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -4.379
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: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -113.007553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.007553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.007553 (E_RNA)
where:
Base-Base interactions energy: -60.326
where: short stacking energy: -39.951
Base-Backbone interact. energy: -0.283
local terms energy: -52.398435
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -4.619
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: 8, replica: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -98.735579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.735579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.735579 (E_RNA)
where:
Base-Base interactions energy: -41.462
where: short stacking energy: -26.791
Base-Backbone interact. energy: -0.200
local terms energy: -57.073723
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -8.765
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: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -78.626454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.626454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.626454 (E_RNA)
where:
Base-Base interactions energy: -24.599
where: short stacking energy: -23.910
Base-Backbone interact. energy: 0.690
local terms energy: -54.718101
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -6.688
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: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -91.235758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.235758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.235758 (E_RNA)
where:
Base-Base interactions energy: -41.123
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.448
local terms energy: -49.665255
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -217.260178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.260178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.260178 (E_RNA)
where:
Base-Base interactions energy: -141.276
where: short stacking energy: -74.442
Base-Backbone interact. energy: -0.596
local terms energy: -75.388244
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -9.928
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: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -162.072121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.072121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.072121 (E_RNA)
where:
Base-Base interactions energy: -94.097
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.044
local terms energy: -67.931838
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -6.307
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: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -187.357356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.357356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.357356 (E_RNA)
where:
Base-Base interactions energy: -113.991
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.114
local terms energy: -73.252567
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -17.252
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -177.908899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.908899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.908899 (E_RNA)
where:
Base-Base interactions energy: -104.855
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.101
local terms energy: -72.953490
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -161.952841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.952841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.952841 (E_RNA)
where:
Base-Base interactions energy: -93.805
where: short stacking energy: -46.322
Base-Backbone interact. energy: -0.436
local terms energy: -67.711521
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -118.190998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.190998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.190998 (E_RNA)
where:
Base-Base interactions energy: -77.162
where: short stacking energy: -39.371
Base-Backbone interact. energy: 3.320
local terms energy: -44.349419
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -106.519759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.519759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.519759 (E_RNA)
where:
Base-Base interactions energy: -56.532
where: short stacking energy: -37.458
Base-Backbone interact. energy: -0.157
local terms energy: -49.830291
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -128.292459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.292459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.292459 (E_RNA)
where:
Base-Base interactions energy: -75.363
where: short stacking energy: -45.962
Base-Backbone interact. energy: 1.158
local terms energy: -54.087044
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.247108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.247108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.247108 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -28.010
Base-Backbone interact. energy: 1.130
local terms energy: -45.560665
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: 2.012
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.994135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.994135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.994135 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -32.852
Base-Backbone interact. energy: 0.213
local terms energy: -48.071675
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -5.953
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: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -220.015376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.015376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.015376 (E_RNA)
where:
Base-Base interactions energy: -142.398
where: short stacking energy: -70.555
Base-Backbone interact. energy: -0.052
local terms energy: -77.564972
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -176.912713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.912713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912713 (E_RNA)
where:
Base-Base interactions energy: -110.747
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.187
local terms energy: -65.978645
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -12.254
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: 14
Temperature: 1.000000
Total energy: -183.683118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.683118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.683118 (E_RNA)
where:
Base-Base interactions energy: -112.004
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.129
local terms energy: -71.550285
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -165.677110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.677110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.677110 (E_RNA)
where:
Base-Base interactions energy: -98.289
where: short stacking energy: -52.420
Base-Backbone interact. energy: 0.370
local terms energy: -67.757585
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -153.107721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.107721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.107721 (E_RNA)
where:
Base-Base interactions energy: -85.971
where: short stacking energy: -45.455
Base-Backbone interact. energy: -0.408
local terms energy: -66.728985
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -136.484280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.484280 (E_RNA)
where:
Base-Base interactions energy: -72.769
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.221
local terms energy: -63.494463
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -99.657195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.657195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.657195 (E_RNA)
where:
Base-Base interactions energy: -41.346
where: short stacking energy: -41.346
Base-Backbone interact. energy: -0.109
local terms energy: -58.201615
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -10.932
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: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -87.372744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372744 (E_RNA)
where:
Base-Base interactions energy: -36.333
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.435
local terms energy: -50.605037
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -88.866010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866010 (E_RNA)
where:
Base-Base interactions energy: -35.355
where: short stacking energy: -20.661
Base-Backbone interact. energy: -0.141
local terms energy: -53.370296
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -5.264
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: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -87.071515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071515 (E_RNA)
where:
Base-Base interactions energy: -39.940
where: short stacking energy: -13.062
Base-Backbone interact. energy: -0.142
local terms energy: -46.988825
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -211.873153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873153 (E_RNA)
where:
Base-Base interactions energy: -135.503
where: short stacking energy: -67.102
Base-Backbone interact. energy: 0.154
local terms energy: -76.524519
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -20.982
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: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -184.275351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.275351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.275351 (E_RNA)
where:
Base-Base interactions energy: -113.843
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.142
local terms energy: -70.290032
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -8.627
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: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -190.610173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.610173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.610173 (E_RNA)
where:
Base-Base interactions energy: -117.433
where: short stacking energy: -69.529
Base-Backbone interact. energy: -0.205
local terms energy: -72.972343
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -171.450370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.450370 (E_RNA)
where:
Base-Base interactions energy: -106.746
where: short stacking energy: -62.178
Base-Backbone interact. energy: 1.010
local terms energy: -65.715048
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -148.134631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.134631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.134631 (E_RNA)
where:
Base-Base interactions energy: -89.934
where: short stacking energy: -49.512
Base-Backbone interact. energy: -0.277
local terms energy: -57.924517
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -10.567
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -168.577574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.577574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.577574 (E_RNA)
where:
Base-Base interactions energy: -98.601
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.077
local terms energy: -69.899662
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -12.521
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: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -166.211898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.211898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.211898 (E_RNA)
where:
Base-Base interactions energy: -110.295
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.004
local terms energy: -55.912171
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -5.827
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -105.280920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.280920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.280920 (E_RNA)
where:
Base-Base interactions energy: -48.201
where: short stacking energy: -29.777
Base-Backbone interact. energy: 0.023
local terms energy: -57.102241
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -10.888
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: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -79.371925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.371925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.371925 (E_RNA)
where:
Base-Base interactions energy: -22.523
where: short stacking energy: -22.523
Base-Backbone interact. energy: -0.005
local terms energy: -56.843513
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -70.395855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.395855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.395855 (E_RNA)
where:
Base-Base interactions energy: -27.444
where: short stacking energy: -12.664
Base-Backbone interact. energy: -0.336
local terms energy: -42.615703
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: 3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -216.494965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.494965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.494965 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.154
local terms energy: -80.909003
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -196.590412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.590412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.590412 (E_RNA)
where:
Base-Base interactions energy: -133.116
where: short stacking energy: -66.338
Base-Backbone interact. energy: -0.079
local terms energy: -63.395746
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -173.799975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.799975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.799975 (E_RNA)
where:
Base-Base interactions energy: -104.012
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.117
local terms energy: -69.671119
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -4.780
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: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -168.146482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.146482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.146482 (E_RNA)
where:
Base-Base interactions energy: -100.327
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.200
local terms energy: -67.620244
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -172.031831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.031831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.031831 (E_RNA)
where:
Base-Base interactions energy: -104.194
where: short stacking energy: -51.456
Base-Backbone interact. energy: -0.058
local terms energy: -67.780452
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -112.586844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.586844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.586844 (E_RNA)
where:
Base-Base interactions energy: -53.136
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.393
local terms energy: -59.057104
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -2.647
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: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -152.199311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.199311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.199311 (E_RNA)
where:
Base-Base interactions energy: -90.629
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.006
local terms energy: -61.565219
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -88.432503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432503 (E_RNA)
where:
Base-Base interactions energy: -39.569
where: short stacking energy: -36.697
Base-Backbone interact. energy: -0.095
local terms energy: -48.768139
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -93.032358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.032358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.032358 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.706
local terms energy: -50.509772
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -75.857517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.857517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.857517 (E_RNA)
where:
Base-Base interactions energy: -25.142
where: short stacking energy: -24.655
Base-Backbone interact. energy: 0.252
local terms energy: -50.967743
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -211.446795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.446795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.446795 (E_RNA)
where:
Base-Base interactions energy: -138.483
where: short stacking energy: -76.046
Base-Backbone interact. energy: -0.038
local terms energy: -72.925767
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -180.853745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.853745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.853745 (E_RNA)
where:
Base-Base interactions energy: -117.488
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.167
local terms energy: -63.198776
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -11.302
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: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -195.962151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.962151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.962151 (E_RNA)
where:
Base-Base interactions energy: -112.138
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.024
local terms energy: -83.800267
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -185.169647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.169647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.169647 (E_RNA)
where:
Base-Base interactions energy: -113.753
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.282
local terms energy: -71.134185
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -154.569978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.569978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.569978 (E_RNA)
where:
Base-Base interactions energy: -93.686
where: short stacking energy: -50.628
Base-Backbone interact. energy: 0.486
local terms energy: -61.369453
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -172.490490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.490490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.490490 (E_RNA)
where:
Base-Base interactions energy: -107.129
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.036
local terms energy: -65.325137
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -102.124388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.124388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.124388 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.107
local terms energy: -57.971840
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -7.099
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: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -101.759685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.759685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.759685 (E_RNA)
where:
Base-Base interactions energy: -45.827
where: short stacking energy: -28.674
Base-Backbone interact. energy: -0.614
local terms energy: -55.318437
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -4.391
flat angles P-C4'-P energy: -9.801
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: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -87.572572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.572572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.572572 (E_RNA)
where:
Base-Base interactions energy: -28.917
where: short stacking energy: -28.917
Base-Backbone interact. energy: -0.189
local terms energy: -58.466353
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -85.418061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.418061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.418061 (E_RNA)
where:
Base-Base interactions energy: -28.094
where: short stacking energy: -28.094
Base-Backbone interact. energy: -0.052
local terms energy: -57.272145
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -13.083
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: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -186.600162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.600162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.600162 (E_RNA)
where:
Base-Base interactions energy: -118.851
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.125
local terms energy: -67.624794
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -11.303
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -212.275924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275924 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.028
local terms energy: -74.685336
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -21.304
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: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -199.083418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.083418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.083418 (E_RNA)
where:
Base-Base interactions energy: -125.475
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.215
local terms energy: -73.393469
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -172.323431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.323431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.323431 (E_RNA)
where:
Base-Base interactions energy: -104.376
where: short stacking energy: -50.493
Base-Backbone interact. energy: -0.076
local terms energy: -67.871703
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -178.520575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.520575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.520575 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.111
local terms energy: -71.047573
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -165.119474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.119474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.119474 (E_RNA)
where:
Base-Base interactions energy: -95.745
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.150
local terms energy: -69.225166
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -91.335627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.335627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.335627 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.036
local terms energy: -60.563673
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -4.016
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: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -98.001132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.001132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.001132 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.086
local terms energy: -54.491973
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -5.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -87.246058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.246058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.246058 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -31.405
Base-Backbone interact. energy: 2.732
local terms energy: -47.451182
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -75.363489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.363489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.363489 (E_RNA)
where:
Base-Base interactions energy: -27.328
where: short stacking energy: -18.241
Base-Backbone interact. energy: -0.349
local terms energy: -47.686641
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -7.570
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -190.328154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.328154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.328154 (E_RNA)
where:
Base-Base interactions energy: -116.014
where: short stacking energy: -57.380
Base-Backbone interact. energy: -0.206
local terms energy: -74.108414
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -194.652328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.652328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.652328 (E_RNA)
where:
Base-Base interactions energy: -117.619
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.310
local terms energy: -76.723399
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -195.544704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.544704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.544704 (E_RNA)
where:
Base-Base interactions energy: -115.666
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.348
local terms energy: -79.531579
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -199.383898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.383898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.383898 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -53.999
Base-Backbone interact. energy: -1.598
local terms energy: -76.298793
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -183.571555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.571555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.571555 (E_RNA)
where:
Base-Base interactions energy: -116.191
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.010
local terms energy: -67.370287
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -157.467869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.467869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.467869 (E_RNA)
where:
Base-Base interactions energy: -96.152
where: short stacking energy: -48.620
Base-Backbone interact. energy: -0.009
local terms energy: -61.306399
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -90.625751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.625751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.625751 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.337
local terms energy: -54.650144
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -9.473
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: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -97.627024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.627024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.627024 (E_RNA)
where:
Base-Base interactions energy: -43.831
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.002
local terms energy: -53.794655
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -105.051872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.051872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.051872 (E_RNA)
where:
Base-Base interactions energy: -46.246
where: short stacking energy: -46.246
Base-Backbone interact. energy: -0.003
local terms energy: -58.803107
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -11.291
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: 10, replica: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -87.194814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.194814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.194814 (E_RNA)
where:
Base-Base interactions energy: -30.975
where: short stacking energy: -30.975
Base-Backbone interact. energy: 0.653
local terms energy: -56.873074
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -195.204848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.204848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.204848 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -71.092
Base-Backbone interact. energy: 0.663
local terms energy: -73.876211
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -191.807178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.807178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.807178 (E_RNA)
where:
Base-Base interactions energy: -124.111
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.285
local terms energy: -67.411350
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -215.149426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.149426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.149426 (E_RNA)
where:
Base-Base interactions energy: -134.901
where: short stacking energy: -76.027
Base-Backbone interact. energy: -0.031
local terms energy: -80.217133
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -192.862366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.862366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.862366 (E_RNA)
where:
Base-Base interactions energy: -119.438
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.283
local terms energy: -73.141745
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -193.965769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.965769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.965769 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -64.482
Base-Backbone interact. energy: -0.101
local terms energy: -73.749297
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -155.319246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.319246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.319246 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -50.822
Base-Backbone interact. energy: 1.004
local terms energy: -62.323456
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -10.663
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: 20
Temperature: 1.200000
Total energy: -112.274740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.274740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.274740 (E_RNA)
where:
Base-Base interactions energy: -50.524
where: short stacking energy: -38.565
Base-Backbone interact. energy: -0.174
local terms energy: -61.577213
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -96.684993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.684993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.684993 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.151
local terms energy: -58.613056
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -85.772667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.772667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.772667 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -29.793
Base-Backbone interact. energy: -0.274
local terms energy: -55.705801
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -1.879
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: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -98.508609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508609 (E_RNA)
where:
Base-Base interactions energy: -40.957
where: short stacking energy: -39.460
Base-Backbone interact. energy: 0.500
local terms energy: -58.051483
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -194.035382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.035382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.035382 (E_RNA)
where:
Base-Base interactions energy: -124.684
where: short stacking energy: -61.370
Base-Backbone interact. energy: 0.196
local terms energy: -69.547184
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -206.180609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.180609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.180609 (E_RNA)
where:
Base-Base interactions energy: -128.745
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.419
local terms energy: -77.016723
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -185.066348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.066348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.066348 (E_RNA)
where:
Base-Base interactions energy: -120.069
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.171
local terms energy: -64.826430
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -201.071550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.071550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.071550 (E_RNA)
where:
Base-Base interactions energy: -123.323
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.013
local terms energy: -77.735942
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -22.385
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: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -171.277951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.277951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.277951 (E_RNA)
where:
Base-Base interactions energy: -107.629
where: short stacking energy: -52.427
Base-Backbone interact. energy: -0.120
local terms energy: -63.529017
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -143.774739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.774739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.774739 (E_RNA)
where:
Base-Base interactions energy: -88.631
where: short stacking energy: -53.054
Base-Backbone interact. energy: -0.015
local terms energy: -55.129419
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -105.249259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.249259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.249259 (E_RNA)
where:
Base-Base interactions energy: -50.035
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.118
local terms energy: -55.095586
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -85.379791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379791 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -35.170
Base-Backbone interact. energy: -0.205
local terms energy: -50.305217
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -6.180
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -96.513342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.513342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.513342 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -36.482
Base-Backbone interact. energy: -0.030
local terms energy: -60.000439
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -82.964061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964061 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -26.619
Base-Backbone interact. energy: -0.113
local terms energy: -43.406184
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -213.476497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.476497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.476497 (E_RNA)
where:
Base-Base interactions energy: -135.776
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.002
local terms energy: -77.698221
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -191.164240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.164240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.164240 (E_RNA)
where:
Base-Base interactions energy: -120.062
where: short stacking energy: -66.465
Base-Backbone interact. energy: -0.102
local terms energy: -71.000415
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -189.279633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.279633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.279633 (E_RNA)
where:
Base-Base interactions energy: -117.307
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.173
local terms energy: -71.799324
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -191.778738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.778738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.778738 (E_RNA)
where:
Base-Base interactions energy: -113.030
where: short stacking energy: -69.593
Base-Backbone interact. energy: -1.284
local terms energy: -77.464353
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -169.666780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.666780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.666780 (E_RNA)
where:
Base-Base interactions energy: -104.840
where: short stacking energy: -57.690
Base-Backbone interact. energy: -0.583
local terms energy: -64.243927
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -17.169
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: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -140.023532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.023532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.023532 (E_RNA)
where:
Base-Base interactions energy: -82.979
where: short stacking energy: -52.740
Base-Backbone interact. energy: -0.168
local terms energy: -56.876926
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -10.538
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: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -96.616530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.616530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.616530 (E_RNA)
where:
Base-Base interactions energy: -38.911
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.139
local terms energy: -57.566889
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -86.272797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272797 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -27.020
Base-Backbone interact. energy: -0.134
local terms energy: -55.246236
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -93.300459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.300459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.300459 (E_RNA)
where:
Base-Base interactions energy: -41.347
where: short stacking energy: -31.797
Base-Backbone interact. energy: -0.287
local terms energy: -51.666362
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -85.736086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.736086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.736086 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -35.678
Base-Backbone interact. energy: -0.021
local terms energy: -50.037585
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -7.990
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: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -216.737609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.737609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.737609 (E_RNA)
where:
Base-Base interactions energy: -139.775
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.137
local terms energy: -76.826246
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -187.981592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.981592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.981592 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -52.935
Base-Backbone interact. energy: -1.310
local terms energy: -71.300723
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -183.553529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.553529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.553529 (E_RNA)
where:
Base-Base interactions energy: -116.122
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.289
local terms energy: -67.142601
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -12.772
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -212.601960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.601960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.601960 (E_RNA)
where:
Base-Base interactions energy: -129.772
where: short stacking energy: -78.614
Base-Backbone interact. energy: 0.297
local terms energy: -83.127065
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -170.659016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.659016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.659016 (E_RNA)
where:
Base-Base interactions energy: -107.213
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.132
local terms energy: -63.313707
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -6.152
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: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -153.194618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.194618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.194618 (E_RNA)
where:
Base-Base interactions energy: -91.476
where: short stacking energy: -45.254
Base-Backbone interact. energy: -0.076
local terms energy: -61.642365
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -97.392025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.392025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.392025 (E_RNA)
where:
Base-Base interactions energy: -37.303
where: short stacking energy: -37.503
Base-Backbone interact. energy: 0.414
local terms energy: -60.502849
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -90.376672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376672 (E_RNA)
where:
Base-Base interactions energy: -30.718
where: short stacking energy: -30.718
Base-Backbone interact. energy: -0.064
local terms energy: -59.594530
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -91.545173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545173 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -29.295
Base-Backbone interact. energy: -0.128
local terms energy: -58.369635
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -73.011301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.011301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.011301 (E_RNA)
where:
Base-Base interactions energy: -23.726
where: short stacking energy: -23.726
Base-Backbone interact. energy: -0.083
local terms energy: -49.202291
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.725
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: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -218.888470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.888470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.888470 (E_RNA)
where:
Base-Base interactions energy: -130.900
where: short stacking energy: -76.776
Base-Backbone interact. energy: -0.014
local terms energy: -87.973776
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -186.226963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.226963 (E_RNA)
where:
Base-Base interactions energy: -121.865
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.584
local terms energy: -63.778789
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -8.247
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: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -214.605471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.605471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.605471 (E_RNA)
where:
Base-Base interactions energy: -131.313
where: short stacking energy: -71.492
Base-Backbone interact. energy: -0.006
local terms energy: -83.286645
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -174.267300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.267300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.267300 (E_RNA)
where:
Base-Base interactions energy: -101.675
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.475
local terms energy: -72.117390
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -158.793287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.793287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.793287 (E_RNA)
where:
Base-Base interactions energy: -93.775
where: short stacking energy: -56.942
Base-Backbone interact. energy: -0.057
local terms energy: -64.961053
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -12.429
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: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -163.424426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.424426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.424426 (E_RNA)
where:
Base-Base interactions energy: -103.017
where: short stacking energy: -55.727
Base-Backbone interact. energy: -1.055
local terms energy: -59.352985
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -5.677
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: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -84.995659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.995659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.995659 (E_RNA)
where:
Base-Base interactions energy: -28.700
where: short stacking energy: -28.700
Base-Backbone interact. energy: -1.093
local terms energy: -55.203280
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -1.456
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: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -120.004099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.004099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.004099 (E_RNA)
where:
Base-Base interactions energy: -61.651
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.843
local terms energy: -57.510093
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -82.562602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.562602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.562602 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -35.516
Base-Backbone interact. energy: -0.171
local terms energy: -46.378267
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -9.081
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: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -79.723599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.723599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.723599 (E_RNA)
where:
Base-Base interactions energy: -27.023
where: short stacking energy: -22.713
Base-Backbone interact. energy: -0.208
local terms energy: -52.492800
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -223.997647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.997647 (E_RNA)
where:
Base-Base interactions energy: -139.716
where: short stacking energy: -84.392
Base-Backbone interact. energy: -0.015
local terms energy: -84.267096
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -178.272924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.272924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.272924 (E_RNA)
where:
Base-Base interactions energy: -109.871
where: short stacking energy: -51.912
Base-Backbone interact. energy: -0.281
local terms energy: -68.121093
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -176.055851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.055851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.055851 (E_RNA)
where:
Base-Base interactions energy: -104.413
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.055
local terms energy: -71.588065
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -165.314898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.314898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.314898 (E_RNA)
where:
Base-Base interactions energy: -96.366
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.004
local terms energy: -68.944801
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -11.547
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: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -139.548427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.548427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.548427 (E_RNA)
where:
Base-Base interactions energy: -73.430
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.067
local terms energy: -66.051364
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -164.241279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.241279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.241279 (E_RNA)
where:
Base-Base interactions energy: -91.226
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.579
local terms energy: -72.435748
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -7.916
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: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -95.181393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.181393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.181393 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -40.955
Base-Backbone interact. energy: -0.497
local terms energy: -49.625395
where:
bonds (distance) C4'-P energy: -5.444
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -90.234934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234934 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -36.920
Base-Backbone interact. energy: 0.332
local terms energy: -53.647111
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -4.741
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: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -81.432530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.432530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.432530 (E_RNA)
where:
Base-Base interactions energy: -25.566
where: short stacking energy: -25.566
Base-Backbone interact. energy: -0.150
local terms energy: -55.716433
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -5.819
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -72.813859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.813859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.813859 (E_RNA)
where:
Base-Base interactions energy: -24.272
where: short stacking energy: -24.272
Base-Backbone interact. energy: 0.445
local terms energy: -48.986885
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -222.086010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.086010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.086010 (E_RNA)
where:
Base-Base interactions energy: -128.938
where: short stacking energy: -76.388
Base-Backbone interact. energy: -1.886
local terms energy: -91.261732
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -198.900584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.900584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.900584 (E_RNA)
where:
Base-Base interactions energy: -127.045
where: short stacking energy: -59.198
Base-Backbone interact. energy: -0.189
local terms energy: -71.667261
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -179.811318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.811318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.811318 (E_RNA)
where:
Base-Base interactions energy: -110.076
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.012
local terms energy: -69.723346
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -192.803534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.803534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.803534 (E_RNA)
where:
Base-Base interactions energy: -118.784
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.041
local terms energy: -73.978702
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -173.940257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.940257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.940257 (E_RNA)
where:
Base-Base interactions energy: -104.874
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.017
local terms energy: -69.048988
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -166.359606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.359606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.359606 (E_RNA)
where:
Base-Base interactions energy: -102.911
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.141
local terms energy: -63.306750
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.696
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: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -93.094643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.094643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.094643 (E_RNA)
where:
Base-Base interactions energy: -39.389
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.014
local terms energy: -53.691062
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -9.583
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: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -85.961102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.961102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.961102 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -30.816
Base-Backbone interact. energy: -0.372
local terms energy: -49.908568
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -9.890
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -82.209830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.209830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.209830 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -26.012
Base-Backbone interact. energy: 0.974
local terms energy: -54.178593
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -81.873953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873953 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -25.466
Base-Backbone interact. energy: 0.832
local terms energy: -56.496780
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -6.151
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: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -211.203546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.203546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.203546 (E_RNA)
where:
Base-Base interactions energy: -133.084
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.045
local terms energy: -78.074452
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -182.858081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.858081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.858081 (E_RNA)
where:
Base-Base interactions energy: -109.862
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.066
local terms energy: -72.930118
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -191.523461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.523461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.523461 (E_RNA)
where:
Base-Base interactions energy: -123.476
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.270
local terms energy: -67.777544
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -11.226
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: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -167.123510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.123510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.123510 (E_RNA)
where:
Base-Base interactions energy: -108.374
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.288
local terms energy: -58.461513
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -172.643593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.643593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.643593 (E_RNA)
where:
Base-Base interactions energy: -106.012
where: short stacking energy: -43.932
Base-Backbone interact. energy: -0.180
local terms energy: -66.452313
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.962
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -164.108201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.108201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.108201 (E_RNA)
where:
Base-Base interactions energy: -97.068
where: short stacking energy: -44.565
Base-Backbone interact. energy: -0.054
local terms energy: -66.986034
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -11.909
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: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -103.394237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.394237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.394237 (E_RNA)
where:
Base-Base interactions energy: -44.185
where: short stacking energy: -36.332
Base-Backbone interact. energy: -0.024
local terms energy: -59.184843
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -9.374
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -88.636637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.636637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.636637 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.145
local terms energy: -50.745508
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -6.888
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -88.128278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128278 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -33.266
Base-Backbone interact. energy: -0.269
local terms energy: -54.593423
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -83.147841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147841 (E_RNA)
where:
Base-Base interactions energy: -32.020
where: short stacking energy: -26.977
Base-Backbone interact. energy: 0.058
local terms energy: -51.186001
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -213.716602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.716602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.716602 (E_RNA)
where:
Base-Base interactions energy: -136.886
where: short stacking energy: -79.622
Base-Backbone interact. energy: -0.043
local terms energy: -76.787903
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -194.638274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.638274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.638274 (E_RNA)
where:
Base-Base interactions energy: -119.771
where: short stacking energy: -71.629
Base-Backbone interact. energy: 0.179
local terms energy: -75.046338
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -182.259565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.259565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.259565 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.188
local terms energy: -60.115647
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -160.727772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.727772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.727772 (E_RNA)
where:
Base-Base interactions energy: -90.234
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.188
local terms energy: -70.305988
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -151.236168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.236168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.236168 (E_RNA)
where:
Base-Base interactions energy: -86.563
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.281
local terms energy: -64.391798
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -6.071
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: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -186.773938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.773938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.773938 (E_RNA)
where:
Base-Base interactions energy: -117.609
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.060
local terms energy: -69.104544
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -94.901426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.901426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.901426 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.484
local terms energy: -59.574548
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -90.877019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877019 (E_RNA)
where:
Base-Base interactions energy: -37.875
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.031
local terms energy: -52.971002
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.466353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.466353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.466353 (E_RNA)
where:
Base-Base interactions energy: -27.956
where: short stacking energy: -27.956
Base-Backbone interact. energy: -0.090
local terms energy: -52.419817
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.241531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241531 (E_RNA)
where:
Base-Base interactions energy: -30.995
where: short stacking energy: -27.621
Base-Backbone interact. energy: -0.509
local terms energy: -45.737599
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -214.961365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.961365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.961365 (E_RNA)
where:
Base-Base interactions energy: -136.761
where: short stacking energy: -76.276
Base-Backbone interact. energy: -0.007
local terms energy: -78.193629
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -185.739013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.739013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.739013 (E_RNA)
where:
Base-Base interactions energy: -122.824
where: short stacking energy: -61.152
Base-Backbone interact. energy: -0.238
local terms energy: -62.677476
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -9.517
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: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -183.740260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.740260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.740260 (E_RNA)
where:
Base-Base interactions energy: -113.834
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.051
local terms energy: -69.854905
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -170.355520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.355520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.355520 (E_RNA)
where:
Base-Base interactions energy: -107.072
where: short stacking energy: -58.634
Base-Backbone interact. energy: -1.538
local terms energy: -61.744858
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -151.317232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.317232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.317232 (E_RNA)
where:
Base-Base interactions energy: -83.251
where: short stacking energy: -43.257
Base-Backbone interact. energy: 1.111
local terms energy: -69.177591
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -100.684073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.684073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.684073 (E_RNA)
where:
Base-Base interactions energy: -47.998
where: short stacking energy: -45.088
Base-Backbone interact. energy: -0.056
local terms energy: -52.630014
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -173.126915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.126915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.126915 (E_RNA)
where:
Base-Base interactions energy: -117.176
where: short stacking energy: -49.729
Base-Backbone interact. energy: -0.140
local terms energy: -55.810572
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -10.995
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -94.210383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.210383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.210383 (E_RNA)
where:
Base-Base interactions energy: -43.006
where: short stacking energy: -32.781
Base-Backbone interact. energy: -0.307
local terms energy: -50.897422
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -3.403
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: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -87.515369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.515369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.515369 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -34.732
Base-Backbone interact. energy: -0.097
local terms energy: -52.686592
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.219886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.219886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.219886 (E_RNA)
where:
Base-Base interactions energy: -30.735
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.490
local terms energy: -49.995000
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -3.818
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: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -216.329398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.329398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.329398 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -72.092
Base-Backbone interact. energy: -0.022
local terms energy: -81.254870
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -193.809688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.809688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.809688 (E_RNA)
where:
Base-Base interactions energy: -125.332
where: short stacking energy: -67.139
Base-Backbone interact. energy: -0.191
local terms energy: -68.286747
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -13.647
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: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -164.843457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.843457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.843457 (E_RNA)
where:
Base-Base interactions energy: -94.928
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.026
local terms energy: -69.889150
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -7.402
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: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -175.894678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.894678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.894678 (E_RNA)
where:
Base-Base interactions energy: -111.688
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.894
local terms energy: -63.312916
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -12.113
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -108.921264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.921264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.921264 (E_RNA)
where:
Base-Base interactions energy: -48.389
where: short stacking energy: -44.318
Base-Backbone interact. energy: 0.642
local terms energy: -61.173557
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -157.839476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.839476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.839476 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -41.576
Base-Backbone interact. energy: -0.378
local terms energy: -60.127110
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -6.131
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: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -162.202375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.202375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.202375 (E_RNA)
where:
Base-Base interactions energy: -105.323
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.080
local terms energy: -56.799337
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -103.553341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.553341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.553341 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -42.916
Base-Backbone interact. energy: -0.118
local terms energy: -52.720271
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -5.960
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: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -86.950090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950090 (E_RNA)
where:
Base-Base interactions energy: -28.090
where: short stacking energy: -28.090
Base-Backbone interact. energy: -0.164
local terms energy: -58.696633
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -91.659031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.659031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.659031 (E_RNA)
where:
Base-Base interactions energy: -41.347
where: short stacking energy: -31.359
Base-Backbone interact. energy: -0.003
local terms energy: -50.309401
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -221.109773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.109773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.109773 (E_RNA)
where:
Base-Base interactions energy: -137.812
where: short stacking energy: -84.800
Base-Backbone interact. energy: -0.024
local terms energy: -83.274271
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -168.289220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.289220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.289220 (E_RNA)
where:
Base-Base interactions energy: -104.362
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.034
local terms energy: -63.893450
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.694
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: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -195.274843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.274843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.274843 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -62.180
Base-Backbone interact. energy: -0.394
local terms energy: -64.768521
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -180.997821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.997821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.997821 (E_RNA)
where:
Base-Base interactions energy: -113.152
where: short stacking energy: -57.869
Base-Backbone interact. energy: -0.032
local terms energy: -67.814179
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -106.054288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.054288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.054288 (E_RNA)
where:
Base-Base interactions energy: -42.205
where: short stacking energy: -38.019
Base-Backbone interact. energy: -0.274
local terms energy: -63.575142
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -171.565675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.565675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.565675 (E_RNA)
where:
Base-Base interactions energy: -110.277
where: short stacking energy: -58.758
Base-Backbone interact. energy: -0.236
local terms energy: -61.052863
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -11.061
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: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -183.747766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.747766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.747766 (E_RNA)
where:
Base-Base interactions energy: -111.584
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.172
local terms energy: -71.991160
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.628
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -94.767959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.767959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.767959 (E_RNA)
where:
Base-Base interactions energy: -39.798
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.750
local terms energy: -54.219765
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -97.077578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.077578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.077578 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -24.592
Base-Backbone interact. energy: -0.232
local terms energy: -59.482159
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -4.712
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -95.436640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.436640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.436640 (E_RNA)
where:
Base-Base interactions energy: -39.253
where: short stacking energy: -39.253
Base-Backbone interact. energy: -0.275
local terms energy: -55.908549
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -225.021183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.021183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.021183 (E_RNA)
where:
Base-Base interactions energy: -140.569
where: short stacking energy: -81.552
Base-Backbone interact. energy: -0.096
local terms energy: -84.356136
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -24.391
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: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -172.865233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.865233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.865233 (E_RNA)
where:
Base-Base interactions energy: -101.077
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.021
local terms energy: -71.766532
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -11.163
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: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -195.067133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.067133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.067133 (E_RNA)
where:
Base-Base interactions energy: -126.991
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.187
local terms energy: -67.889500
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -168.005300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.005300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.005300 (E_RNA)
where:
Base-Base interactions energy: -113.652
where: short stacking energy: -50.457
Base-Backbone interact. energy: -0.338
local terms energy: -54.015361
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -6.341
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: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -160.143056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.143056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.143056 (E_RNA)
where:
Base-Base interactions energy: -93.579
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.159
local terms energy: -66.404823
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -109.644731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.644731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.644731 (E_RNA)
where:
Base-Base interactions energy: -45.142
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.001
local terms energy: -64.502026
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -11.031
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: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -179.072120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.072120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.072120 (E_RNA)
where:
Base-Base interactions energy: -108.760
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.154
local terms energy: -70.157933
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -95.466297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466297 (E_RNA)
where:
Base-Base interactions energy: -42.070
where: short stacking energy: -42.070
Base-Backbone interact. energy: -0.309
local terms energy: -53.087282
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -88.398420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.398420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.398420 (E_RNA)
where:
Base-Base interactions energy: -40.655
where: short stacking energy: -29.954
Base-Backbone interact. energy: -0.195
local terms energy: -47.547725
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -99.681321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.681321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.681321 (E_RNA)
where:
Base-Base interactions energy: -52.640
where: short stacking energy: -37.997
Base-Backbone interact. energy: -0.196
local terms energy: -46.844645
where:
bonds (distance) C4'-P energy: -7.582
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -215.038875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.038875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.038875 (E_RNA)
where:
Base-Base interactions energy: -129.165
where: short stacking energy: -70.521
Base-Backbone interact. energy: -0.079
local terms energy: -85.794469
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -198.724837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724837 (E_RNA)
where:
Base-Base interactions energy: -124.081
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.263
local terms energy: -74.380741
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -180.198982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.198982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.198982 (E_RNA)
where:
Base-Base interactions energy: -108.560
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.200
local terms energy: -71.439556
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -168.108333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.108333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.108333 (E_RNA)
where:
Base-Base interactions energy: -103.518
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.817
local terms energy: -63.773857
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -163.093590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.093590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.093590 (E_RNA)
where:
Base-Base interactions energy: -107.080
where: short stacking energy: -42.119
Base-Backbone interact. energy: -0.342
local terms energy: -55.671990
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -172.353509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.353509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.353509 (E_RNA)
where:
Base-Base interactions energy: -107.490
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.280
local terms energy: -64.583962
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -108.895730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.895730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.895730 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -38.828
Base-Backbone interact. energy: -0.020
local terms energy: -64.924707
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -92.512621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.512621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.512621 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.067
local terms energy: -61.297180
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -82.286839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286839 (E_RNA)
where:
Base-Base interactions energy: -31.642
where: short stacking energy: -31.175
Base-Backbone interact. energy: -0.123
local terms energy: -50.521858
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -85.890526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.890526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.890526 (E_RNA)
where:
Base-Base interactions energy: -44.576
where: short stacking energy: -36.847
Base-Backbone interact. energy: 0.443
local terms energy: -41.757802
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -0.639
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -197.932355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.932355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.932355 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.025
local terms energy: -70.668571
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -211.378677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378677 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -76.420
Base-Backbone interact. energy: -0.022
local terms energy: -79.846733
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -173.430893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.430893 (E_RNA)
where:
Base-Base interactions energy: -98.450
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.282
local terms energy: -74.699330
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -167.475009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.475009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.475009 (E_RNA)
where:
Base-Base interactions energy: -102.190
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.114
local terms energy: -65.170972
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -13.142
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: 34
Temperature: 1.100000
Total energy: -191.997501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.997501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.997501 (E_RNA)
where:
Base-Base interactions energy: -124.535
where: short stacking energy: -49.869
Base-Backbone interact. energy: -0.115
local terms energy: -67.347446
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -12.038
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -179.051494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.051494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.051494 (E_RNA)
where:
Base-Base interactions energy: -115.229
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.369
local terms energy: -63.453466
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -13.036
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: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -102.694392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.694392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.694392 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.186
local terms energy: -64.993319
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -8.139
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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -85.533895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.533895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.533895 (E_RNA)
where:
Base-Base interactions energy: -34.420
where: short stacking energy: -34.420
Base-Backbone interact. energy: 1.024
local terms energy: -52.137130
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -5.562
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: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -85.038493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038493 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.077
local terms energy: -53.124446
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -85.411743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.411743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.411743 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -20.650
Base-Backbone interact. energy: 0.622
local terms energy: -41.848231
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -6.038
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -200.318256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.318256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.318256 (E_RNA)
where:
Base-Base interactions energy: -127.915
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.174
local terms energy: -72.229655
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -209.794378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794378 (E_RNA)
where:
Base-Base interactions energy: -134.544
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.206
local terms energy: -75.044956
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -180.919306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.919306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.919306 (E_RNA)
where:
Base-Base interactions energy: -104.894
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.141
local terms energy: -75.884811
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -185.647123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.647123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.647123 (E_RNA)
where:
Base-Base interactions energy: -122.726
where: short stacking energy: -50.277
Base-Backbone interact. energy: 0.194
local terms energy: -63.115549
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -11.558
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: 35
Temperature: 1.100000
Total energy: -155.546075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.546075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.546075 (E_RNA)
where:
Base-Base interactions energy: -82.625
where: short stacking energy: -58.462
Base-Backbone interact. energy: 0.421
local terms energy: -73.342205
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -160.031420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.031420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.031420 (E_RNA)
where:
Base-Base interactions energy: -95.182
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.196
local terms energy: -64.653768
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -99.248307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.248307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.248307 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.019
local terms energy: -68.149568
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -110.974617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.974617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.974617 (E_RNA)
where:
Base-Base interactions energy: -55.294
where: short stacking energy: -25.584
Base-Backbone interact. energy: -1.323
local terms energy: -54.357539
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -92.899502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899502 (E_RNA)
where:
Base-Base interactions energy: -35.312
where: short stacking energy: -35.312
Base-Backbone interact. energy: 1.154
local terms energy: -58.741369
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -7.139
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: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -114.244021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.244021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.244021 (E_RNA)
where:
Base-Base interactions energy: -54.942
where: short stacking energy: -37.720
Base-Backbone interact. energy: -0.084
local terms energy: -59.218541
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -9.568
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: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -214.023041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.023041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.023041 (E_RNA)
where:
Base-Base interactions energy: -137.469
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.559
local terms energy: -75.995686
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -203.435410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.435410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.435410 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.040
local terms energy: -70.322548
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -190.106620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106620 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -64.419
Base-Backbone interact. energy: -0.107
local terms energy: -71.590753
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -169.979438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.979438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.979438 (E_RNA)
where:
Base-Base interactions energy: -102.136
where: short stacking energy: -57.536
Base-Backbone interact. energy: 0.975
local terms energy: -68.818507
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -177.743681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.743681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.743681 (E_RNA)
where:
Base-Base interactions energy: -112.456
where: short stacking energy: -52.603
Base-Backbone interact. energy: 0.754
local terms energy: -66.041884
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -8.004
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: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -160.124073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.124073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.124073 (E_RNA)
where:
Base-Base interactions energy: -103.066
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.844
local terms energy: -56.214349
where:
bonds (distance) C4'-P energy: -6.301
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -11.052
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: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -153.762632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.762632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.762632 (E_RNA)
where:
Base-Base interactions energy: -98.990
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.091
local terms energy: -54.680897
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -94.830180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.830180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.830180 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.097
local terms energy: -61.032050
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -8.139
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: 36
Temperature: 1.300000
Total energy: -92.899530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899530 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -39.415
Base-Backbone interact. energy: -0.002
local terms energy: -53.482758
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.787
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: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -75.803683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.803683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.803683 (E_RNA)
where:
Base-Base interactions energy: -24.287
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.246
local terms energy: -51.270518
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -6.493
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -212.381556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.381556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.381556 (E_RNA)
where:
Base-Base interactions energy: -131.548
where: short stacking energy: -67.891
Base-Backbone interact. energy: -0.013
local terms energy: -80.820487
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -197.754768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.754768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.754768 (E_RNA)
where:
Base-Base interactions energy: -123.860
where: short stacking energy: -64.765
Base-Backbone interact. energy: -0.076
local terms energy: -73.818874
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -18.795
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: 37
Temperature: 1.000000
Total energy: -208.077664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.077664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.077664 (E_RNA)
where:
Base-Base interactions energy: -133.866
where: short stacking energy: -73.378
Base-Backbone interact. energy: -0.109
local terms energy: -74.103190
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -171.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.489777 (E_RNA)
where:
Base-Base interactions energy: -100.046
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.164
local terms energy: -71.279346
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -13.830
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: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -162.707859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.707859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.707859 (E_RNA)
where:
Base-Base interactions energy: -93.047
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.099
local terms energy: -69.561126
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -169.806497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.806497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.806497 (E_RNA)
where:
Base-Base interactions energy: -100.753
where: short stacking energy: -56.492
Base-Backbone interact. energy: -0.055
local terms energy: -68.997694
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -141.646524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.646524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.646524 (E_RNA)
where:
Base-Base interactions energy: -81.959
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.041
local terms energy: -59.646174
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -5.642
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -92.173949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.173949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.173949 (E_RNA)
where:
Base-Base interactions energy: -44.502
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.118
local terms energy: -47.553620
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -7.858
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -79.034028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.034028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.034028 (E_RNA)
where:
Base-Base interactions energy: -24.349
where: short stacking energy: -24.349
Base-Backbone interact. energy: -0.056
local terms energy: -54.629176
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -0.157
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: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -89.701451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701451 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.274
local terms energy: -51.706303
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -217.014606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014606 (E_RNA)
where:
Base-Base interactions energy: -137.979
where: short stacking energy: -78.471
Base-Backbone interact. energy: -0.010
local terms energy: -79.025350
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -210.012167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.012167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012167 (E_RNA)
where:
Base-Base interactions energy: -127.193
where: short stacking energy: -75.249
Base-Backbone interact. energy: -0.011
local terms energy: -82.809137
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -20.268
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: 38
Temperature: 1.000000
Total energy: -203.468537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.468537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.468537 (E_RNA)
where:
Base-Base interactions energy: -135.441
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.016
local terms energy: -68.011653
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -170.275288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.275288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.275288 (E_RNA)
where:
Base-Base interactions energy: -98.620
where: short stacking energy: -53.133
Base-Backbone interact. energy: 0.001
local terms energy: -71.656597
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -157.360988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.360988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.360988 (E_RNA)
where:
Base-Base interactions energy: -91.351
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.123
local terms energy: -65.886928
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -162.425540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.425540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.425540 (E_RNA)
where:
Base-Base interactions energy: -95.328
where: short stacking energy: -53.578
Base-Backbone interact. energy: -0.771
local terms energy: -66.325796
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.663
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: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -132.258889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.258889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.258889 (E_RNA)
where:
Base-Base interactions energy: -72.880
where: short stacking energy: -38.953
Base-Backbone interact. energy: -0.290
local terms energy: -59.088794
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -9.233
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: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -87.717315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717315 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -37.254
Base-Backbone interact. energy: 1.795
local terms energy: -52.258382
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -95.949666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.949666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.949666 (E_RNA)
where:
Base-Base interactions energy: -36.860
where: short stacking energy: -34.591
Base-Backbone interact. energy: -0.096
local terms energy: -58.993449
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -78.515341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.515341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.515341 (E_RNA)
where:
Base-Base interactions energy: -23.235
where: short stacking energy: -23.235
Base-Backbone interact. energy: -0.170
local terms energy: -55.109895
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -209.876003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.876003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.876003 (E_RNA)
where:
Base-Base interactions energy: -126.365
where: short stacking energy: -67.622
Base-Backbone interact. energy: -0.021
local terms energy: -83.490518
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -210.363743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.363743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.363743 (E_RNA)
where:
Base-Base interactions energy: -141.136
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.663
local terms energy: -68.565047
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -17.457
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: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -202.853686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.853686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.853686 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -70.913
Base-Backbone interact. energy: 1.578
local terms energy: -71.998021
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -175.250368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.250368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.250368 (E_RNA)
where:
Base-Base interactions energy: -103.041
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.023
local terms energy: -72.186327
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -18.828
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: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -169.182507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.182507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.182507 (E_RNA)
where:
Base-Base interactions energy: -105.945
where: short stacking energy: -49.168
Base-Backbone interact. energy: -0.229
local terms energy: -63.009208
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -7.276
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: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -146.826787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.826787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.826787 (E_RNA)
where:
Base-Base interactions energy: -79.692
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.514
local terms energy: -66.620971
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -11.060
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: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -118.007880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.007880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.007880 (E_RNA)
where:
Base-Base interactions energy: -64.940
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.135
local terms energy: -52.932655
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -5.812
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: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -93.275052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.275052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.275052 (E_RNA)
where:
Base-Base interactions energy: -43.305
where: short stacking energy: -39.882
Base-Backbone interact. energy: 0.781
local terms energy: -50.750869
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -85.917274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.917274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.917274 (E_RNA)
where:
Base-Base interactions energy: -41.682
where: short stacking energy: -41.682
Base-Backbone interact. energy: -0.101
local terms energy: -44.134226
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -1.644
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: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -83.057768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.057768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.057768 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -23.702
Base-Backbone interact. energy: -0.012
local terms energy: -54.235951
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -215.580358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580358 (E_RNA)
where:
Base-Base interactions energy: -136.746
where: short stacking energy: -66.382
Base-Backbone interact. energy: -0.195
local terms energy: -78.639596
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -206.527289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.527289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.527289 (E_RNA)
where:
Base-Base interactions energy: -125.898
where: short stacking energy: -66.531
Base-Backbone interact. energy: -0.004
local terms energy: -80.625509
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -173.055415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.055415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.055415 (E_RNA)
where:
Base-Base interactions energy: -103.309
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.059
local terms energy: -69.686965
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -201.356249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.356249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.356249 (E_RNA)
where:
Base-Base interactions energy: -116.462
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.787
local terms energy: -84.107049
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -159.380331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.380331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.380331 (E_RNA)
where:
Base-Base interactions energy: -88.288
where: short stacking energy: -54.205
Base-Backbone interact. energy: -0.223
local terms energy: -70.868719
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.787
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: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -165.889702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.889702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.889702 (E_RNA)
where:
Base-Base interactions energy: -99.015
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.317
local terms energy: -66.557595
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -106.333477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.333477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.333477 (E_RNA)
where:
Base-Base interactions energy: -37.577
where: short stacking energy: -37.577
Base-Backbone interact. energy: -0.008
local terms energy: -68.748121
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -114.749854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.749854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.749854 (E_RNA)
where:
Base-Base interactions energy: -47.999
where: short stacking energy: -40.924
Base-Backbone interact. energy: 0.104
local terms energy: -66.854889
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.308
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: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -109.044539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.044539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.044539 (E_RNA)
where:
Base-Base interactions energy: -54.031
where: short stacking energy: -31.710
Base-Backbone interact. energy: -0.038
local terms energy: -54.974971
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -7.998
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -79.838160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.838160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.838160 (E_RNA)
where:
Base-Base interactions energy: -23.557
where: short stacking energy: -23.557
Base-Backbone interact. energy: -0.091
local terms energy: -56.190086
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -1.690
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -213.091220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.091220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.091220 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.034
local terms energy: -76.669883
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -212.110177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.110177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.110177 (E_RNA)
where:
Base-Base interactions energy: -123.709
where: short stacking energy: -78.807
Base-Backbone interact. energy: -2.741
local terms energy: -85.660312
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -171.597804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.597804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.597804 (E_RNA)
where:
Base-Base interactions energy: -104.740
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.229
local terms energy: -66.629141
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -15.453
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -188.634751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.634751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634751 (E_RNA)
where:
Base-Base interactions energy: -115.890
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.001
local terms energy: -72.743622
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -166.596120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.596120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.596120 (E_RNA)
where:
Base-Base interactions energy: -100.835
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.382
local terms energy: -65.379069
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -7.329
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: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -109.112069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.112069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.112069 (E_RNA)
where:
Base-Base interactions energy: -54.502
where: short stacking energy: -40.100
Base-Backbone interact. energy: -0.299
local terms energy: -54.311190
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -9.211
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: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -148.198025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.198025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.198025 (E_RNA)
where:
Base-Base interactions energy: -91.188
where: short stacking energy: -38.259
Base-Backbone interact. energy: -0.311
local terms energy: -56.699972
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -94.204138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.204138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.204138 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.412
local terms energy: -54.050030
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -92.868733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.868733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.868733 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -34.455
Base-Backbone interact. energy: -0.076
local terms energy: -58.337304
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -81.188800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.188800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.188800 (E_RNA)
where:
Base-Base interactions energy: -25.439
where: short stacking energy: -24.451
Base-Backbone interact. energy: -0.070
local terms energy: -55.679905
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -3.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -207.523391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.523391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.523391 (E_RNA)
where:
Base-Base interactions energy: -136.260
where: short stacking energy: -62.376
Base-Backbone interact. energy: 2.692
local terms energy: -73.955773
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -204.723828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.723828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.723828 (E_RNA)
where:
Base-Base interactions energy: -127.388
where: short stacking energy: -72.499
Base-Backbone interact. energy: 0.927
local terms energy: -78.262942
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -198.199998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.199998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.199998 (E_RNA)
where:
Base-Base interactions energy: -130.574
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.003
local terms energy: -67.622740
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -185.566628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.566628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.566628 (E_RNA)
where:
Base-Base interactions energy: -114.906
where: short stacking energy: -76.386
Base-Backbone interact. energy: -0.014
local terms energy: -70.647074
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -171.445339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.445339 (E_RNA)
where:
Base-Base interactions energy: -101.222
where: short stacking energy: -62.582
Base-Backbone interact. energy: -0.187
local terms energy: -70.036647
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -111.126574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.126574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.126574 (E_RNA)
where:
Base-Base interactions energy: -51.627
where: short stacking energy: -41.500
Base-Backbone interact. energy: -0.102
local terms energy: -59.396950
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -170.271943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.271943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.271943 (E_RNA)
where:
Base-Base interactions energy: -105.905
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.048
local terms energy: -64.319041
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -86.679426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.679426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.679426 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -32.791
Base-Backbone interact. energy: -0.557
local terms energy: -53.431234
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -88.897136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.897136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.897136 (E_RNA)
where:
Base-Base interactions energy: -32.891
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.097
local terms energy: -55.909785
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -95.602388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.602388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.602388 (E_RNA)
where:
Base-Base interactions energy: -43.477
where: short stacking energy: -20.965
Base-Backbone interact. energy: -0.148
local terms energy: -51.978069
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -227.599826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.599826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.599826 (E_RNA)
where:
Base-Base interactions energy: -145.879
where: short stacking energy: -73.097
Base-Backbone interact. energy: -0.110
local terms energy: -81.610342
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -214.077110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.077110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.077110 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -74.865
Base-Backbone interact. energy: -0.014
local terms energy: -86.287433
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -195.519598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.519598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.519598 (E_RNA)
where:
Base-Base interactions energy: -121.965
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.013
local terms energy: -73.541152
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -164.199735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.199735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.199735 (E_RNA)
where:
Base-Base interactions energy: -98.707
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.272
local terms energy: -65.221152
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.291
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: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -179.785075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.785075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.785075 (E_RNA)
where:
Base-Base interactions energy: -106.435
where: short stacking energy: -62.402
Base-Backbone interact. energy: -0.107
local terms energy: -73.242999
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -154.048455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.048455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.048455 (E_RNA)
where:
Base-Base interactions energy: -94.201
where: short stacking energy: -54.280
Base-Backbone interact. energy: -0.115
local terms energy: -59.732330
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -9.843
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: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -112.535451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.535451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.535451 (E_RNA)
where:
Base-Base interactions energy: -47.064
where: short stacking energy: -47.064
Base-Backbone interact. energy: -0.085
local terms energy: -65.387213
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.092
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: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -93.820530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.820530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.820530 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.208
local terms energy: -56.660244
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -9.635
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: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -124.730275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.730275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.730275 (E_RNA)
where:
Base-Base interactions energy: -67.765
where: short stacking energy: -37.990
Base-Backbone interact. energy: -0.367
local terms energy: -56.598082
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -87.182944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.182944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.182944 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -34.032
Base-Backbone interact. energy: -0.140
local terms energy: -53.011067
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -4.791
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -226.323846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323846 (E_RNA)
where:
Base-Base interactions energy: -146.663
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.302
local terms energy: -79.358519
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -216.473606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.473606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.473606 (E_RNA)
where:
Base-Base interactions energy: -131.132
where: short stacking energy: -73.892
Base-Backbone interact. energy: -0.053
local terms energy: -85.288505
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -195.410650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.410650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.410650 (E_RNA)
where:
Base-Base interactions energy: -118.696
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.045
local terms energy: -76.669825
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -174.248957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.248957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.248957 (E_RNA)
where:
Base-Base interactions energy: -108.573
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.059
local terms energy: -65.616773
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -12.925
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: 44
Temperature: 1.100000
Total energy: -164.892593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.892593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.892593 (E_RNA)
where:
Base-Base interactions energy: -100.798
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.487
local terms energy: -63.607725
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -172.289162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.289162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.289162 (E_RNA)
where:
Base-Base interactions energy: -98.878
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.003
local terms energy: -73.408104
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -99.266623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.266623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.266623 (E_RNA)
where:
Base-Base interactions energy: -43.369
where: short stacking energy: -43.369
Base-Backbone interact. energy: -0.083
local terms energy: -55.815215
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -114.199015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.199015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.199015 (E_RNA)
where:
Base-Base interactions energy: -56.279
where: short stacking energy: -43.304
Base-Backbone interact. energy: 0.411
local terms energy: -58.331680
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -91.570774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570774 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.104
local terms energy: -51.383012
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -86.224856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.224856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.224856 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -36.148
Base-Backbone interact. energy: -0.194
local terms energy: -51.182827
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -7.956
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -5.205
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: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -212.664594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.664594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.664594 (E_RNA)
where:
Base-Base interactions energy: -139.547
where: short stacking energy: -64.820
Base-Backbone interact. energy: -0.467
local terms energy: -72.650044
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -209.482283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.482283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.482283 (E_RNA)
where:
Base-Base interactions energy: -132.162
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.055
local terms energy: -77.265261
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -184.882735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.882735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.882735 (E_RNA)
where:
Base-Base interactions energy: -107.339
where: short stacking energy: -57.806
Base-Backbone interact. energy: -0.102
local terms energy: -77.441375
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -166.471284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.471284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.471284 (E_RNA)
where:
Base-Base interactions energy: -95.610
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.780
local terms energy: -70.081341
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -13.156
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: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -163.328077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.328077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.328077 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.188
local terms energy: -64.710539
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -162.567800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.567800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.567800 (E_RNA)
where:
Base-Base interactions energy: -99.855
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.032
local terms energy: -62.680847
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.555
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: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -100.271718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.271718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.271718 (E_RNA)
where:
Base-Base interactions energy: -42.767
where: short stacking energy: -42.767
Base-Backbone interact. energy: -0.019
local terms energy: -57.484977
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -95.698261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.698261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.698261 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.075
local terms energy: -62.088847
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -82.839107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.839107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.839107 (E_RNA)
where:
Base-Base interactions energy: -28.607
where: short stacking energy: -23.972
Base-Backbone interact. energy: 0.326
local terms energy: -54.558162
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -93.265172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.265172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.265172 (E_RNA)
where:
Base-Base interactions energy: -47.635
where: short stacking energy: -35.107
Base-Backbone interact. energy: 1.112
local terms energy: -46.741259
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -212.611646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.611646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611646 (E_RNA)
where:
Base-Base interactions energy: -144.268
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.174
local terms energy: -68.170037
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -214.435618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.435618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.435618 (E_RNA)
where:
Base-Base interactions energy: -128.807
where: short stacking energy: -79.482
Base-Backbone interact. energy: -0.040
local terms energy: -85.588159
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -168.691987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.691987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.691987 (E_RNA)
where:
Base-Base interactions energy: -101.390
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.142
local terms energy: -67.159721
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -205.257526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.257526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.257526 (E_RNA)
where:
Base-Base interactions energy: -131.500
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.084
local terms energy: -73.673290
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -174.351063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.351063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.351063 (E_RNA)
where:
Base-Base interactions energy: -96.329
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.024
local terms energy: -77.997712
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -154.629556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.629556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.629556 (E_RNA)
where:
Base-Base interactions energy: -89.592
where: short stacking energy: -50.307
Base-Backbone interact. energy: -0.192
local terms energy: -64.845725
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -91.215761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.215761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.215761 (E_RNA)
where:
Base-Base interactions energy: -40.475
where: short stacking energy: -40.475
Base-Backbone interact. energy: -0.209
local terms energy: -50.531651
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -104.952172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.952172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.952172 (E_RNA)
where:
Base-Base interactions energy: -43.359
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.094
local terms energy: -61.498731
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -12.111
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: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -76.697526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.697526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.697526 (E_RNA)
where:
Base-Base interactions energy: -25.194
where: short stacking energy: -24.942
Base-Backbone interact. energy: 1.329
local terms energy: -52.832937
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -84.488790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488790 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -32.770
Base-Backbone interact. energy: -0.044
local terms energy: -51.674833
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -207.423883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.423883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.423883 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -66.598
Base-Backbone interact. energy: -0.106
local terms energy: -76.810108
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -18.337
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: 47
Temperature: 0.950000
Total energy: -185.923890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.923890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.923890 (E_RNA)
where:
Base-Base interactions energy: -111.173
where: short stacking energy: -66.280
Base-Backbone interact. energy: 0.068
local terms energy: -74.818198
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -18.765
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: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -206.170123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.170123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.170123 (E_RNA)
where:
Base-Base interactions energy: -131.838
where: short stacking energy: -78.978
Base-Backbone interact. energy: 0.064
local terms energy: -74.395843
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -190.456022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.456022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.456022 (E_RNA)
where:
Base-Base interactions energy: -112.267
where: short stacking energy: -73.369
Base-Backbone interact. energy: 0.183
local terms energy: -78.372332
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -192.012989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.012989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.012989 (E_RNA)
where:
Base-Base interactions energy: -119.993
where: short stacking energy: -60.007
Base-Backbone interact. energy: 0.043
local terms energy: -72.062642
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -146.984874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.984874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.984874 (E_RNA)
where:
Base-Base interactions energy: -81.504
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.000
local terms energy: -65.480261
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -94.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.830863 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -39.342
Base-Backbone interact. energy: -0.145
local terms energy: -55.343969
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -8.951
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: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -107.590429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.590429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.590429 (E_RNA)
where:
Base-Base interactions energy: -48.093
where: short stacking energy: -33.752
Base-Backbone interact. energy: 0.156
local terms energy: -59.653516
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -5.448
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: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -82.483247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483247 (E_RNA)
where:
Base-Base interactions energy: -25.774
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.048
local terms energy: -56.660589
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -74.343689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.343689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.343689 (E_RNA)
where:
Base-Base interactions energy: -20.890
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.424
local terms energy: -53.030141
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -215.177267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.177267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.177267 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -68.301
Base-Backbone interact. energy: -0.200
local terms energy: -79.126486
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -197.609953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.609953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.609953 (E_RNA)
where:
Base-Base interactions energy: -117.901
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.023
local terms energy: -79.686114
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -15.880
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: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -187.278055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278055 (E_RNA)
where:
Base-Base interactions energy: -110.208
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.103
local terms energy: -76.966653
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -172.812572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.812572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.812572 (E_RNA)
where:
Base-Base interactions energy: -100.605
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.041
local terms energy: -72.166033
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -187.726942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.726942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.726942 (E_RNA)
where:
Base-Base interactions energy: -106.396
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.039
local terms energy: -81.292322
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -141.151125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.151125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.151125 (E_RNA)
where:
Base-Base interactions energy: -75.747
where: short stacking energy: -44.757
Base-Backbone interact. energy: 0.863
local terms energy: -66.266256
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -8.450
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: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -122.929584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.929584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.929584 (E_RNA)
where:
Base-Base interactions energy: -59.426
where: short stacking energy: -38.614
Base-Backbone interact. energy: -0.084
local terms energy: -63.419368
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -14.548
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -90.192298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.192298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.192298 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -34.574
Base-Backbone interact. energy: -0.342
local terms energy: -55.276714
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.148
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: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -86.803803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.803803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.803803 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.330
local terms energy: -55.428946
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -9.938
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: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -90.482464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.482464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.482464 (E_RNA)
where:
Base-Base interactions energy: -41.822
where: short stacking energy: -28.808
Base-Backbone interact. energy: 1.330
local terms energy: -49.990367
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -11.126
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: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -211.604714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.604714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.604714 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -71.585
Base-Backbone interact. energy: -0.048
local terms energy: -75.935362
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -19.904
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: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -205.479909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.479909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.479909 (E_RNA)
where:
Base-Base interactions energy: -125.131
where: short stacking energy: -73.568
Base-Backbone interact. energy: -0.007
local terms energy: -80.341841
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -185.810876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.810876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.810876 (E_RNA)
where:
Base-Base interactions energy: -108.438
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.316
local terms energy: -77.057183
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -200.815065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.815065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.815065 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -70.623
Base-Backbone interact. energy: -0.005
local terms energy: -72.516113
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -161.542601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.542601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.542601 (E_RNA)
where:
Base-Base interactions energy: -89.246
where: short stacking energy: -50.876
Base-Backbone interact. energy: -0.067
local terms energy: -72.228768
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -148.824728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.824728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.824728 (E_RNA)
where:
Base-Base interactions energy: -92.304
where: short stacking energy: -45.271
Base-Backbone interact. energy: -0.353
local terms energy: -56.168037
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -149.152094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.152094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.152094 (E_RNA)
where:
Base-Base interactions energy: -86.860
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.369
local terms energy: -61.922413
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -16.295
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: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -91.588701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.588701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.588701 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.130
local terms energy: -56.200164
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -10.691
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: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -116.550895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.550895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.550895 (E_RNA)
where:
Base-Base interactions energy: -72.406
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.261
local terms energy: -43.884391
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -85.971331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.971331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.971331 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.060
local terms energy: -54.939078
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.225
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: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -219.813713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.813713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.813713 (E_RNA)
where:
Base-Base interactions energy: -134.443
where: short stacking energy: -81.477
Base-Backbone interact. energy: 0.106
local terms energy: -85.476772
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -206.487243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.487243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.487243 (E_RNA)
where:
Base-Base interactions energy: -126.983
where: short stacking energy: -69.244
Base-Backbone interact. energy: -0.192
local terms energy: -79.311883
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -203.287729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.287729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.287729 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -67.098
Base-Backbone interact. energy: -0.322
local terms energy: -71.305900
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -164.410131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.410131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.410131 (E_RNA)
where:
Base-Base interactions energy: -102.173
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.190
local terms energy: -62.046907
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -146.960115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.960115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.960115 (E_RNA)
where:
Base-Base interactions energy: -80.168
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.014
local terms energy: -66.778398
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -158.182631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.182631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.182631 (E_RNA)
where:
Base-Base interactions energy: -94.728
where: short stacking energy: -50.298
Base-Backbone interact. energy: 0.313
local terms energy: -63.767904
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -145.551631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.551631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.551631 (E_RNA)
where:
Base-Base interactions energy: -76.872
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.402
local terms energy: -68.278448
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -87.219299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.219299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.219299 (E_RNA)
where:
Base-Base interactions energy: -30.987
where: short stacking energy: -31.387
Base-Backbone interact. energy: 0.249
local terms energy: -56.481623
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -103.864779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.864779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.864779 (E_RNA)
where:
Base-Base interactions energy: -43.078
where: short stacking energy: -43.078
Base-Backbone interact. energy: -0.146
local terms energy: -60.640279
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -7.333
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: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -107.407157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.407157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.407157 (E_RNA)
where:
Base-Base interactions energy: -61.956
where: short stacking energy: -30.770
Base-Backbone interact. energy: -0.368
local terms energy: -45.083062
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -217.837789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.837789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.837789 (E_RNA)
where:
Base-Base interactions energy: -133.693
where: short stacking energy: -78.019
Base-Backbone interact. energy: -0.030
local terms energy: -84.115472
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -213.656092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.656092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.656092 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -64.175
Base-Backbone interact. energy: 0.447
local terms energy: -76.514697
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -19.315
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: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -201.860325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.860325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.860325 (E_RNA)
where:
Base-Base interactions energy: -126.643
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.091
local terms energy: -75.127092
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -160.321763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.321763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.321763 (E_RNA)
where:
Base-Base interactions energy: -89.246
where: short stacking energy: -49.020
Base-Backbone interact. energy: -0.068
local terms energy: -71.007507
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -168.282599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.282599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.282599 (E_RNA)
where:
Base-Base interactions energy: -99.112
where: short stacking energy: -59.910
Base-Backbone interact. energy: -0.045
local terms energy: -69.125998
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -163.915024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.915024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.915024 (E_RNA)
where:
Base-Base interactions energy: -95.497
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.104
local terms energy: -68.313691
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -158.108563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.108563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.108563 (E_RNA)
where:
Base-Base interactions energy: -91.299
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.159
local terms energy: -66.650694
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.880
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: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -104.182047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.182047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.182047 (E_RNA)
where:
Base-Base interactions energy: -48.967
where: short stacking energy: -40.613
Base-Backbone interact. energy: -0.033
local terms energy: -55.181617
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -5.388
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: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -84.990648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990648 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -20.107
Base-Backbone interact. energy: -0.341
local terms energy: -53.088338
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.115764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115764 (E_RNA)
where:
Base-Base interactions energy: -27.630
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.058
local terms energy: -58.427924
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -209.962584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.962584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.962584 (E_RNA)
where:
Base-Base interactions energy: -132.025
where: short stacking energy: -71.900
Base-Backbone interact. energy: -0.045
local terms energy: -77.892085
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.615
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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -209.834421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.834421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.834421 (E_RNA)
where:
Base-Base interactions energy: -127.357
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.041
local terms energy: -82.436234
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -24.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -203.420285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.420285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.420285 (E_RNA)
where:
Base-Base interactions energy: -129.339
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.331
local terms energy: -73.750185
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -169.333984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.333984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.333984 (E_RNA)
where:
Base-Base interactions energy: -101.599
where: short stacking energy: -50.800
Base-Backbone interact. energy: -0.117
local terms energy: -67.617876
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.783
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: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -170.392528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.392528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.392528 (E_RNA)
where:
Base-Base interactions energy: -105.951
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.015
local terms energy: -64.426714
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -162.126409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.126409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.126409 (E_RNA)
where:
Base-Base interactions energy: -94.273
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.367
local terms energy: -67.486305
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -11.279
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: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -96.318904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.318904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.318904 (E_RNA)
where:
Base-Base interactions energy: -43.191
where: short stacking energy: -42.990
Base-Backbone interact. energy: -0.009
local terms energy: -53.119212
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -4.524
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: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -149.986312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.986312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.986312 (E_RNA)
where:
Base-Base interactions energy: -86.671
where: short stacking energy: -46.676
Base-Backbone interact. energy: -0.087
local terms energy: -63.228197
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -86.628526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.628526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.628526 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -33.557
Base-Backbone interact. energy: -0.086
local terms energy: -52.002863
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -81.194286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194286 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.140
local terms energy: -47.167694
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -0.345
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: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -219.197381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197381 (E_RNA)
where:
Base-Base interactions energy: -134.135
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.004
local terms energy: -85.059136
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -207.026718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.026718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.026718 (E_RNA)
where:
Base-Base interactions energy: -128.113
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.115
local terms energy: -78.798716
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -20.860
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: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -203.876001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.876001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.876001 (E_RNA)
where:
Base-Base interactions energy: -128.417
where: short stacking energy: -75.940
Base-Backbone interact. energy: -0.013
local terms energy: -75.446274
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -162.593147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.593147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.593147 (E_RNA)
where:
Base-Base interactions energy: -98.537
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.131
local terms energy: -63.924965
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -161.320045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.320045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.320045 (E_RNA)
where:
Base-Base interactions energy: -90.431
where: short stacking energy: -48.405
Base-Backbone interact. energy: -0.002
local terms energy: -70.887470
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -173.397510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.397510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.397510 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.359
local terms energy: -77.316542
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -94.136590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.136590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.136590 (E_RNA)
where:
Base-Base interactions energy: -35.159
where: short stacking energy: -35.159
Base-Backbone interact. energy: 0.733
local terms energy: -59.710554
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -143.104395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.104395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.104395 (E_RNA)
where:
Base-Base interactions energy: -83.533
where: short stacking energy: -41.352
Base-Backbone interact. energy: -0.072
local terms energy: -59.499553
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -78.805159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.805159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.805159 (E_RNA)
where:
Base-Base interactions energy: -27.254
where: short stacking energy: -26.345
Base-Backbone interact. energy: -2.489
local terms energy: -49.061842
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -77.462512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.462512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.462512 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -24.866
Base-Backbone interact. energy: 0.899
local terms energy: -46.659734
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -222.449776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.449776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.449776 (E_RNA)
where:
Base-Base interactions energy: -143.381
where: short stacking energy: -78.771
Base-Backbone interact. energy: -0.012
local terms energy: -79.056913
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -194.270528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.270528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.270528 (E_RNA)
where:
Base-Base interactions energy: -126.642
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.164
local terms energy: -67.464364
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -209.885627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.885627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.885627 (E_RNA)
where:
Base-Base interactions energy: -126.174
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.002
local terms energy: -83.710042
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -23.025
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: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -155.763710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.763710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.763710 (E_RNA)
where:
Base-Base interactions energy: -92.011
where: short stacking energy: -50.194
Base-Backbone interact. energy: -0.092
local terms energy: -63.660821
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -10.528
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -161.499859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.499859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.499859 (E_RNA)
where:
Base-Base interactions energy: -102.672
where: short stacking energy: -47.945
Base-Backbone interact. energy: -0.020
local terms energy: -58.808563
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -151.187100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.187100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.187100 (E_RNA)
where:
Base-Base interactions energy: -90.390
where: short stacking energy: -41.567
Base-Backbone interact. energy: -0.095
local terms energy: -60.702774
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -153.456155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.456155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.456155 (E_RNA)
where:
Base-Base interactions energy: -91.387
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.302
local terms energy: -61.767307
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -12.781
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: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -107.190444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.190444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.190444 (E_RNA)
where:
Base-Base interactions energy: -53.160
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.196
local terms energy: -53.834894
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.796
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: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -139.831705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.831705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.831705 (E_RNA)
where:
Base-Base interactions energy: -78.573
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.534
local terms energy: -60.724047
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -6.515
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: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.698217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698217 (E_RNA)
where:
Base-Base interactions energy: -32.052
where: short stacking energy: -32.052
Base-Backbone interact. energy: 1.107
local terms energy: -49.753174
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -211.206706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206706 (E_RNA)
where:
Base-Base interactions energy: -134.306
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.105
local terms energy: -76.795897
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -204.245218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.245218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.245218 (E_RNA)
where:
Base-Base interactions energy: -123.251
where: short stacking energy: -63.541
Base-Backbone interact. energy: 0.107
local terms energy: -81.101359
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -191.727260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.727260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.727260 (E_RNA)
where:
Base-Base interactions energy: -120.687
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.105
local terms energy: -70.935295
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -178.510311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.510311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.510311 (E_RNA)
where:
Base-Base interactions energy: -107.862
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.059
local terms energy: -70.589651
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -154.119548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.119548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.119548 (E_RNA)
where:
Base-Base interactions energy: -93.224
where: short stacking energy: -51.785
Base-Backbone interact. energy: 1.262
local terms energy: -62.157748
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -8.399
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: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -164.193915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.193915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.193915 (E_RNA)
where:
Base-Base interactions energy: -101.237
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.011
local terms energy: -62.945754
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -125.823253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.823253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.823253 (E_RNA)
where:
Base-Base interactions energy: -70.899
where: short stacking energy: -37.510
Base-Backbone interact. energy: -0.368
local terms energy: -54.556142
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -144.262923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.262923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.262923 (E_RNA)
where:
Base-Base interactions energy: -88.908
where: short stacking energy: -52.526
Base-Backbone interact. energy: -0.027
local terms energy: -55.327836
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -98.514417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.514417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.514417 (E_RNA)
where:
Base-Base interactions energy: -33.209
where: short stacking energy: -33.209
Base-Backbone interact. energy: -0.009
local terms energy: -65.296212
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -82.477051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.477051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.477051 (E_RNA)
where:
Base-Base interactions energy: -36.924
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.153
local terms energy: -45.399532
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -212.822706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.822706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.822706 (E_RNA)
where:
Base-Base interactions energy: -129.838
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.032
local terms energy: -82.952582
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -214.338130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.338130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.338130 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.082
local terms energy: -83.699079
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -175.687835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.687835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.687835 (E_RNA)
where:
Base-Base interactions energy: -113.913
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.014
local terms energy: -61.760730
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -15.789
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: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -189.241107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.241107 (E_RNA)
where:
Base-Base interactions energy: -120.693
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.087
local terms energy: -68.460789
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -157.349626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.349626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.349626 (E_RNA)
where:
Base-Base interactions energy: -89.637
where: short stacking energy: -52.357
Base-Backbone interact. energy: -0.392
local terms energy: -67.319848
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -157.264285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.264285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.264285 (E_RNA)
where:
Base-Base interactions energy: -89.675
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.990
local terms energy: -66.599578
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -142.310909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.310909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.310909 (E_RNA)
where:
Base-Base interactions energy: -90.144
where: short stacking energy: -45.635
Base-Backbone interact. energy: -0.639
local terms energy: -51.527481
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -5.492
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: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -136.168952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.168952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.168952 (E_RNA)
where:
Base-Base interactions energy: -80.666
where: short stacking energy: -41.790
Base-Backbone interact. energy: -0.006
local terms energy: -55.496879
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -7.271
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: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -75.871431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.871431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.871431 (E_RNA)
where:
Base-Base interactions energy: -28.505
where: short stacking energy: -20.970
Base-Backbone interact. energy: -1.220
local terms energy: -46.145775
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -83.575606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.575606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.575606 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.263
local terms energy: -51.089268
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -8.065
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: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -225.541396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.541396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.541396 (E_RNA)
where:
Base-Base interactions energy: -141.016
where: short stacking energy: -84.986
Base-Backbone interact. energy: -0.023
local terms energy: -84.502640
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -213.584085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.584085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.584085 (E_RNA)
where:
Base-Base interactions energy: -137.619
where: short stacking energy: -77.255
Base-Backbone interact. energy: -0.009
local terms energy: -75.956813
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -173.673780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.673780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.673780 (E_RNA)
where:
Base-Base interactions energy: -105.868
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.340
local terms energy: -67.465774
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -198.510637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.510637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.510637 (E_RNA)
where:
Base-Base interactions energy: -118.124
where: short stacking energy: -65.559
Base-Backbone interact. energy: -0.036
local terms energy: -80.350520
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -156.029085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.029085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.029085 (E_RNA)
where:
Base-Base interactions energy: -90.536
where: short stacking energy: -46.852
Base-Backbone interact. energy: -0.001
local terms energy: -65.492609
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -156.593582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.593582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.593582 (E_RNA)
where:
Base-Base interactions energy: -91.114
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.732
local terms energy: -64.747223
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -148.147429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.147429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.147429 (E_RNA)
where:
Base-Base interactions energy: -88.700
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.144
local terms energy: -59.302970
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -96.911225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.911225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.911225 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -38.934
Base-Backbone interact. energy: -0.002
local terms energy: -57.975922
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -85.416492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.416492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.416492 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -36.967
Base-Backbone interact. energy: -0.115
local terms energy: -48.334655
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -7.670
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: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -84.417364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417364 (E_RNA)
where:
Base-Base interactions energy: -39.985
where: short stacking energy: -37.507
Base-Backbone interact. energy: -0.116
local terms energy: -44.316691
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -2.562
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -207.251056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.251056 (E_RNA)
where:
Base-Base interactions energy: -132.675
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.008
local terms energy: -74.568002
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -21.077
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: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -207.220809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.220809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.220809 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -73.351
Base-Backbone interact. energy: -1.609
local terms energy: -75.325470
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -21.818
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: 58
Temperature: 1.000000
Total energy: -188.913951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.913951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.913951 (E_RNA)
where:
Base-Base interactions energy: -118.550
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.098
local terms energy: -70.265727
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.231
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -181.003052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.003052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.003052 (E_RNA)
where:
Base-Base interactions energy: -110.260
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.003
local terms energy: -70.739775
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -162.250025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.250025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.250025 (E_RNA)
where:
Base-Base interactions energy: -94.084
where: short stacking energy: -54.698
Base-Backbone interact. energy: -0.112
local terms energy: -68.054176
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -161.464205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.464205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.464205 (E_RNA)
where:
Base-Base interactions energy: -95.700
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.292
local terms energy: -65.471938
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -106.974768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.974768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.974768 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.151
local terms energy: -67.804882
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -12.362
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: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -137.544996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.544996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.544996 (E_RNA)
where:
Base-Base interactions energy: -75.710
where: short stacking energy: -38.802
Base-Backbone interact. energy: -0.216
local terms energy: -61.619215
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -96.564176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.564176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.564176 (E_RNA)
where:
Base-Base interactions energy: -35.504
where: short stacking energy: -32.023
Base-Backbone interact. energy: -0.048
local terms energy: -61.011444
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -9.289
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -96.400280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.400280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.400280 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -37.485
Base-Backbone interact. energy: -0.810
local terms energy: -58.105419
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -11.055
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: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -213.705215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.705215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.705215 (E_RNA)
where:
Base-Base interactions energy: -130.251
where: short stacking energy: -74.965
Base-Backbone interact. energy: -0.012
local terms energy: -83.443038
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -192.718214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.718214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.718214 (E_RNA)
where:
Base-Base interactions energy: -121.606
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.052
local terms energy: -71.060763
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -10.601
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: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -198.708700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.708700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.708700 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -66.732
Base-Backbone interact. energy: -0.108
local terms energy: -70.086423
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -166.925202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.925202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.925202 (E_RNA)
where:
Base-Base interactions energy: -106.162
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.309
local terms energy: -60.453766
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -171.672459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.672459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.672459 (E_RNA)
where:
Base-Base interactions energy: -106.950
where: short stacking energy: -49.610
Base-Backbone interact. energy: -0.106
local terms energy: -64.616389
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -154.001132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.001132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.001132 (E_RNA)
where:
Base-Base interactions energy: -92.067
where: short stacking energy: -48.220
Base-Backbone interact. energy: 0.221
local terms energy: -62.154548
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -7.810
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: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -106.736121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.736121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.736121 (E_RNA)
where:
Base-Base interactions energy: -38.541
where: short stacking energy: -37.050
Base-Backbone interact. energy: -0.007
local terms energy: -68.187688
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -97.851688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.851688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.851688 (E_RNA)
where:
Base-Base interactions energy: -41.311
where: short stacking energy: -41.311
Base-Backbone interact. energy: -0.569
local terms energy: -55.971935
where:
bonds (distance) C4'-P energy: -7.570
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -149.210225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.210225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.210225 (E_RNA)
where:
Base-Base interactions energy: -89.891
where: short stacking energy: -48.290
Base-Backbone interact. energy: -0.175
local terms energy: -59.143750
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.088
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -85.808228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.808228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.808228 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -34.081
Base-Backbone interact. energy: -0.296
local terms energy: -51.431254
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -221.839345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839345 (E_RNA)
where:
Base-Base interactions energy: -137.685
where: short stacking energy: -82.940
Base-Backbone interact. energy: -0.103
local terms energy: -84.051242
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -24.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -207.287386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.287386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.287386 (E_RNA)
where:
Base-Base interactions energy: -127.033
where: short stacking energy: -73.354
Base-Backbone interact. energy: -1.663
local terms energy: -78.591081
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -20.695
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: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -189.648461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.648461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.648461 (E_RNA)
where:
Base-Base interactions energy: -122.534
where: short stacking energy: -63.355
Base-Backbone interact. energy: -0.067
local terms energy: -67.047294
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -172.804876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.804876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.804876 (E_RNA)
where:
Base-Base interactions energy: -97.113
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.744
local terms energy: -74.947746
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -160.729740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.729740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.729740 (E_RNA)
where:
Base-Base interactions energy: -95.126
where: short stacking energy: -55.627
Base-Backbone interact. energy: 0.495
local terms energy: -66.099709
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -11.251
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: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -170.447349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.447349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.447349 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.395
local terms energy: -61.194156
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -98.241816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.241816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.241816 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -28.688
Base-Backbone interact. energy: -0.251
local terms energy: -50.400917
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -3.123
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: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -94.758560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.758560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.758560 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.051
local terms energy: -50.234575
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -7.337
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -92.962225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.962225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.962225 (E_RNA)
where:
Base-Base interactions energy: -47.179
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.324
local terms energy: -45.459641
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: 0.584
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -85.901362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.901362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.901362 (E_RNA)
where:
Base-Base interactions energy: -31.925
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.097
local terms energy: -53.879365
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -215.430277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.430277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.430277 (E_RNA)
where:
Base-Base interactions energy: -134.799
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.014
local terms energy: -80.616937
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -20.005
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: -210.724640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.724640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.724640 (E_RNA)
where:
Base-Base interactions energy: -127.421
where: short stacking energy: -76.819
Base-Backbone interact. energy: -0.291
local terms energy: -83.012080
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -190.336126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.336126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.336126 (E_RNA)
where:
Base-Base interactions energy: -121.543
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.024
local terms energy: -68.769044
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -172.006658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.006658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.006658 (E_RNA)
where:
Base-Base interactions energy: -97.692
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.857
local terms energy: -73.457353
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -168.545491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.545491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.545491 (E_RNA)
where:
Base-Base interactions energy: -94.363
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.030
local terms energy: -74.152189
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -180.276090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.276090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.276090 (E_RNA)
where:
Base-Base interactions energy: -111.034
where: short stacking energy: -63.160
Base-Backbone interact. energy: 2.132
local terms energy: -71.375011
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -101.134898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.134898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.134898 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -37.295
Base-Backbone interact. energy: -0.037
local terms energy: -61.165302
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -13.284
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: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -95.193437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.193437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.193437 (E_RNA)
where:
Base-Base interactions energy: -45.126
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.288
local terms energy: -49.779152
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.482
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: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -92.045044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.045044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.045044 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -26.069
Base-Backbone interact. energy: -0.197
local terms energy: -60.539942
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -83.283729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.283729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.283729 (E_RNA)
where:
Base-Base interactions energy: -30.165
where: short stacking energy: -29.003
Base-Backbone interact. energy: 0.461
local terms energy: -53.579661
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -219.944487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.944487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.944487 (E_RNA)
where:
Base-Base interactions energy: -139.158
where: short stacking energy: -78.050
Base-Backbone interact. energy: -0.060
local terms energy: -80.726082
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -23.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -217.366495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.366495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.366495 (E_RNA)
where:
Base-Base interactions energy: -133.458
where: short stacking energy: -74.231
Base-Backbone interact. energy: -1.942
local terms energy: -81.965998
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -173.159524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.159524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.159524 (E_RNA)
where:
Base-Base interactions energy: -102.340
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.163
local terms energy: -70.655723
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -188.471001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.471001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.471001 (E_RNA)
where:
Base-Base interactions energy: -122.686
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.064
local terms energy: -65.720990
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -182.191801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.191801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.191801 (E_RNA)
where:
Base-Base interactions energy: -101.060
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.117
local terms energy: -81.014854
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -155.792420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.792420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.792420 (E_RNA)
where:
Base-Base interactions energy: -99.373
where: short stacking energy: -44.596
Base-Backbone interact. energy: -1.109
local terms energy: -55.310006
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -94.902328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.902328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.902328 (E_RNA)
where:
Base-Base interactions energy: -39.635
where: short stacking energy: -32.954
Base-Backbone interact. energy: -0.212
local terms energy: -55.055069
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -98.215503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.215503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.215503 (E_RNA)
where:
Base-Base interactions energy: -36.477
where: short stacking energy: -36.477
Base-Backbone interact. energy: -0.096
local terms energy: -61.642504
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -11.242
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: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -89.040084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.040084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.040084 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -35.304
Base-Backbone interact. energy: 1.640
local terms energy: -51.576760
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -83.497189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.497189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.497189 (E_RNA)
where:
Base-Base interactions energy: -24.456
where: short stacking energy: -16.672
Base-Backbone interact. energy: -0.114
local terms energy: -58.927771
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -213.716568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.716568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.716568 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.018
local terms energy: -78.446363
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -213.563415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.563415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.563415 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -75.945
Base-Backbone interact. energy: -0.015
local terms energy: -84.350918
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -172.915701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.915701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.915701 (E_RNA)
where:
Base-Base interactions energy: -98.433
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.092
local terms energy: -74.390787
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -199.742879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.742879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.742879 (E_RNA)
where:
Base-Base interactions energy: -123.301
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.348
local terms energy: -76.093711
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -171.882023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.882023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.882023 (E_RNA)
where:
Base-Base interactions energy: -95.202
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.032
local terms energy: -76.648084
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -153.465497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.465497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.465497 (E_RNA)
where:
Base-Base interactions energy: -83.586
where: short stacking energy: -44.051
Base-Backbone interact. energy: -0.004
local terms energy: -69.875519
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -102.198274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.198274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.198274 (E_RNA)
where:
Base-Base interactions energy: -39.875
where: short stacking energy: -32.827
Base-Backbone interact. energy: 0.068
local terms energy: -62.390906
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -9.395
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: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -97.760215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760215 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -33.008
Base-Backbone interact. energy: -0.058
local terms energy: -57.989175
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -103.364298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.364298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.364298 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -48.357
Base-Backbone interact. energy: 0.438
local terms energy: -55.445450
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -81.520656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.520656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.520656 (E_RNA)
where:
Base-Base interactions energy: -26.195
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.167
local terms energy: -55.159147
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -225.426918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.426918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.426918 (E_RNA)
where:
Base-Base interactions energy: -143.820
where: short stacking energy: -85.970
Base-Backbone interact. energy: -0.000
local terms energy: -81.606796
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -24.373
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: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -210.111665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.111665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.111665 (E_RNA)
where:
Base-Base interactions energy: -135.225
where: short stacking energy: -73.768
Base-Backbone interact. energy: 0.448
local terms energy: -75.335544
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -196.910488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.910488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.910488 (E_RNA)
where:
Base-Base interactions energy: -118.224
where: short stacking energy: -69.016
Base-Backbone interact. energy: -0.188
local terms energy: -78.498062
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -172.130000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.130000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.130000 (E_RNA)
where:
Base-Base interactions energy: -107.470
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.145
local terms energy: -64.514337
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -143.007174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.007174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.007174 (E_RNA)
where:
Base-Base interactions energy: -82.560
where: short stacking energy: -51.285
Base-Backbone interact. energy: 0.038
local terms energy: -60.485353
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -147.518746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.518746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.518746 (E_RNA)
where:
Base-Base interactions energy: -86.196
where: short stacking energy: -56.126
Base-Backbone interact. energy: -0.083
local terms energy: -61.240070
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -105.417688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.417688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.417688 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.299
local terms energy: -73.882071
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -100.298286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.298286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.298286 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -36.254
Base-Backbone interact. energy: -0.180
local terms energy: -64.164636
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -97.409486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.409486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.409486 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -34.825
Base-Backbone interact. energy: -0.031
local terms energy: -58.032529
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -8.807
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: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -74.501420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.501420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.501420 (E_RNA)
where:
Base-Base interactions energy: -22.549
where: short stacking energy: -16.847
Base-Backbone interact. energy: -0.147
local terms energy: -51.805151
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: 1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -224.687733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.687733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.687733 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.016
local terms energy: -82.367975
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -23.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -209.762225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.762225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.762225 (E_RNA)
where:
Base-Base interactions energy: -131.825
where: short stacking energy: -75.673
Base-Backbone interact. energy: -0.005
local terms energy: -77.931839
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -199.751842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.751842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.751842 (E_RNA)
where:
Base-Base interactions energy: -126.246
where: short stacking energy: -70.994
Base-Backbone interact. energy: -0.151
local terms energy: -73.354431
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -19.041
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: 65
Temperature: 1.050000
Total energy: -186.912920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.912920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.912920 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -74.189
Base-Backbone interact. energy: -0.002
local terms energy: -73.938051
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.560
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: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -159.377965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.377965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.377965 (E_RNA)
where:
Base-Base interactions energy: -96.468
where: short stacking energy: -43.860
Base-Backbone interact. energy: -0.164
local terms energy: -62.745268
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -151.365577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.365577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.365577 (E_RNA)
where:
Base-Base interactions energy: -87.627
where: short stacking energy: -60.486
Base-Backbone interact. energy: 0.123
local terms energy: -63.861842
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -97.686074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.686074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.686074 (E_RNA)
where:
Base-Base interactions energy: -33.838
where: short stacking energy: -33.838
Base-Backbone interact. energy: -0.378
local terms energy: -63.469427
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -8.990
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: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -92.391111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391111 (E_RNA)
where:
Base-Base interactions energy: -47.065
where: short stacking energy: -35.137
Base-Backbone interact. energy: 0.341
local terms energy: -45.666601
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -1.079
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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -94.884098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.884098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.884098 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -41.869
Base-Backbone interact. energy: -0.109
local terms energy: -52.906120
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -5.609
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -78.941838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.941838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.941838 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -21.382
Base-Backbone interact. energy: 0.090
local terms energy: -57.650378
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -222.435062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.435062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.435062 (E_RNA)
where:
Base-Base interactions energy: -137.258
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.005
local terms energy: -85.172861
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -23.076
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: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -210.810837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.810837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.810837 (E_RNA)
where:
Base-Base interactions energy: -132.816
where: short stacking energy: -74.549
Base-Backbone interact. energy: -0.014
local terms energy: -77.980270
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -186.782734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.782734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.782734 (E_RNA)
where:
Base-Base interactions energy: -113.465
where: short stacking energy: -65.332
Base-Backbone interact. energy: -0.098
local terms energy: -73.219495
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -171.847688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.847688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.847688 (E_RNA)
where:
Base-Base interactions energy: -104.036
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.130
local terms energy: -67.682522
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -175.357514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.357514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.357514 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.182
local terms energy: -58.954514
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -141.036484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.036484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.036484 (E_RNA)
where:
Base-Base interactions energy: -81.689
where: short stacking energy: -39.603
Base-Backbone interact. energy: -0.364
local terms energy: -58.983289
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -109.673618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.673618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.673618 (E_RNA)
where:
Base-Base interactions energy: -52.299
where: short stacking energy: -39.576
Base-Backbone interact. energy: -0.174
local terms energy: -57.201537
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -4.808
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: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -89.710003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.710003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.710003 (E_RNA)
where:
Base-Base interactions energy: -29.040
where: short stacking energy: -29.040
Base-Backbone interact. energy: -0.367
local terms energy: -60.302305
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -12.537
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: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -87.348604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.348604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.348604 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -31.325
Base-Backbone interact. energy: -0.156
local terms energy: -46.132430
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -97.248408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.248408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.248408 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -34.240
Base-Backbone interact. energy: -0.206
local terms energy: -51.816041
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -210.191039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.191039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.191039 (E_RNA)
where:
Base-Base interactions energy: -125.204
where: short stacking energy: -72.962
Base-Backbone interact. energy: -0.060
local terms energy: -84.927264
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -23.763
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: 67
Temperature: 0.950000
Total energy: -217.647550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.647550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.647550 (E_RNA)
where:
Base-Base interactions energy: -131.565
where: short stacking energy: -79.497
Base-Backbone interact. energy: -0.061
local terms energy: -86.020913
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -192.337337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.337337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.337337 (E_RNA)
where:
Base-Base interactions energy: -119.639
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.086
local terms energy: -72.612204
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -175.764241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.764241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.764241 (E_RNA)
where:
Base-Base interactions energy: -112.057
where: short stacking energy: -54.741
Base-Backbone interact. energy: -0.331
local terms energy: -63.376506
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -151.969120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.969120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.969120 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -37.466
Base-Backbone interact. energy: 0.012
local terms energy: -61.939401
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -100.527960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.527960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.527960 (E_RNA)
where:
Base-Base interactions energy: -38.381
where: short stacking energy: -38.481
Base-Backbone interact. energy: -0.074
local terms energy: -62.073198
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -161.420575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.420575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.420575 (E_RNA)
where:
Base-Base interactions energy: -95.439
where: short stacking energy: -44.479
Base-Backbone interact. energy: -0.113
local terms energy: -65.867936
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -95.957722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.957722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.957722 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.632
local terms energy: -54.530143
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -87.821635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.821635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.821635 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -27.616
Base-Backbone interact. energy: 0.309
local terms energy: -60.514686
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.467
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: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -78.945243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.945243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.945243 (E_RNA)
where:
Base-Base interactions energy: -30.777
where: short stacking energy: -29.698
Base-Backbone interact. energy: -0.229
local terms energy: -47.939415
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -1.257
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: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -198.208015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.208015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.208015 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.108
local terms energy: -67.446532
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -213.837438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.837438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.837438 (E_RNA)
where:
Base-Base interactions energy: -132.883
where: short stacking energy: -72.923
Base-Backbone interact. energy: -0.019
local terms energy: -80.934982
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -195.153923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.153923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.153923 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.803
local terms energy: -74.245083
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -163.494979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.494979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.494979 (E_RNA)
where:
Base-Base interactions energy: -102.202
where: short stacking energy: -51.427
Base-Backbone interact. energy: -0.378
local terms energy: -60.914459
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -132.001126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.001126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.001126 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.031
local terms energy: -56.998156
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -3.817
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: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -155.441571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.441571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.441571 (E_RNA)
where:
Base-Base interactions energy: -90.998
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.040
local terms energy: -64.403835
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -13.711
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: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -141.623578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.623578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.623578 (E_RNA)
where:
Base-Base interactions energy: -86.944
where: short stacking energy: -45.778
Base-Backbone interact. energy: 0.398
local terms energy: -55.077530
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -97.556662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.556662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.556662 (E_RNA)
where:
Base-Base interactions energy: -46.846
where: short stacking energy: -23.235
Base-Backbone interact. energy: -0.250
local terms energy: -50.460277
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -90.907710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.907710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.907710 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -30.191
Base-Backbone interact. energy: -0.023
local terms energy: -55.760505
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -86.319828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.319828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.319828 (E_RNA)
where:
Base-Base interactions energy: -30.806
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.148
local terms energy: -55.366140
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -4.784
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: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -221.078606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.078606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.078606 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -80.047
Base-Backbone interact. energy: 3.813
local terms energy: -75.574798
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -217.614250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.614250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.614250 (E_RNA)
where:
Base-Base interactions energy: -132.754
where: short stacking energy: -77.390
Base-Backbone interact. energy: -0.105
local terms energy: -84.755949
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -194.485452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.485452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.485452 (E_RNA)
where:
Base-Base interactions energy: -112.092
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.190
local terms energy: -82.203971
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -165.926195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.926195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.926195 (E_RNA)
where:
Base-Base interactions energy: -103.812
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.148
local terms energy: -61.966121
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -12.819
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -143.355328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.355328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.355328 (E_RNA)
where:
Base-Base interactions energy: -80.685
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.347
local terms energy: -62.323197
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -152.459334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.459334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.459334 (E_RNA)
where:
Base-Base interactions energy: -93.993
where: short stacking energy: -52.229
Base-Backbone interact. energy: 0.206
local terms energy: -58.671539
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.193
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: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -144.716861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.716861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.716861 (E_RNA)
where:
Base-Base interactions energy: -81.426
where: short stacking energy: -48.738
Base-Backbone interact. energy: -0.173
local terms energy: -63.117900
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -86.003368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.003368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.003368 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -29.849
Base-Backbone interact. energy: -0.115
local terms energy: -56.039732
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -86.649170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649170 (E_RNA)
where:
Base-Base interactions energy: -44.018
where: short stacking energy: -26.278
Base-Backbone interact. energy: 0.443
local terms energy: -43.074127
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -6.398
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: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -94.320237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.320237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.320237 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.202
local terms energy: -52.678649
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -214.608058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.608058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.608058 (E_RNA)
where:
Base-Base interactions energy: -131.470
where: short stacking energy: -71.991
Base-Backbone interact. energy: -0.045
local terms energy: -83.093025
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -218.759879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.759879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.759879 (E_RNA)
where:
Base-Base interactions energy: -131.613
where: short stacking energy: -81.943
Base-Backbone interact. energy: -0.040
local terms energy: -87.107132
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -191.973015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.973015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.973015 (E_RNA)
where:
Base-Base interactions energy: -115.479
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.022
local terms energy: -76.472445
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -167.887969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.887969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.887969 (E_RNA)
where:
Base-Base interactions energy: -102.032
where: short stacking energy: -53.200
Base-Backbone interact. energy: 1.124
local terms energy: -66.980141
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -175.264529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.264529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.264529 (E_RNA)
where:
Base-Base interactions energy: -109.387
where: short stacking energy: -64.196
Base-Backbone interact. energy: -0.115
local terms energy: -65.763132
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -140.806669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.806669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.806669 (E_RNA)
where:
Base-Base interactions energy: -73.371
where: short stacking energy: -40.445
Base-Backbone interact. energy: -0.066
local terms energy: -67.369485
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -12.993
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -92.110977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.110977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.110977 (E_RNA)
where:
Base-Base interactions energy: -40.470
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.269
local terms energy: -51.372329
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -91.065296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.065296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.065296 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -25.288
Base-Backbone interact. energy: 2.337
local terms energy: -56.999604
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -11.373
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -88.847071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.847071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.847071 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -35.506
Base-Backbone interact. energy: -0.084
local terms energy: -52.676217
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -91.734793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.734793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.734793 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.006
local terms energy: -59.616732
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -210.914096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.914096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.914096 (E_RNA)
where:
Base-Base interactions energy: -130.224
where: short stacking energy: -76.817
Base-Backbone interact. energy: -1.543
local terms energy: -79.147589
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -202.958097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.958097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958097 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -71.807
Base-Backbone interact. energy: -0.005
local terms energy: -80.576351
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -180.899727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.899727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.899727 (E_RNA)
where:
Base-Base interactions energy: -103.555
where: short stacking energy: -57.419
Base-Backbone interact. energy: -0.770
local terms energy: -76.574636
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -17.739
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: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -176.855899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.855899 (E_RNA)
where:
Base-Base interactions energy: -107.783
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.155
local terms energy: -68.917708
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -11.242
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: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -172.891818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.891818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.891818 (E_RNA)
where:
Base-Base interactions energy: -103.014
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.084
local terms energy: -69.793827
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -147.859478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.859478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.859478 (E_RNA)
where:
Base-Base interactions energy: -92.263
where: short stacking energy: -43.738
Base-Backbone interact. energy: -0.298
local terms energy: -55.298515
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -97.114793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.114793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.114793 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -30.551
Base-Backbone interact. energy: -0.219
local terms energy: -60.736584
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -90.851530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.851530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.851530 (E_RNA)
where:
Base-Base interactions energy: -41.153
where: short stacking energy: -41.153
Base-Backbone interact. energy: -0.190
local terms energy: -49.508375
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -89.679883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.679883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.679883 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -21.408
Base-Backbone interact. energy: -0.201
local terms energy: -54.164432
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -80.950572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.950572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.950572 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.054
local terms energy: -52.560095
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -7.841
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -218.106520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.106520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.106520 (E_RNA)
where:
Base-Base interactions energy: -132.519
where: short stacking energy: -75.424
Base-Backbone interact. energy: -0.017
local terms energy: -85.570178
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -199.155403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.155403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.155403 (E_RNA)
where:
Base-Base interactions energy: -122.041
where: short stacking energy: -66.860
Base-Backbone interact. energy: -1.313
local terms energy: -75.801684
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -18.675
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: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -177.036673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.036673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.036673 (E_RNA)
where:
Base-Base interactions energy: -110.382
where: short stacking energy: -63.515
Base-Backbone interact. energy: -0.127
local terms energy: -66.527141
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -14.019
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: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -175.403297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.403297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.403297 (E_RNA)
where:
Base-Base interactions energy: -106.249
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.788
local terms energy: -68.366513
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -15.532
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: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -170.581955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.581955 (E_RNA)
where:
Base-Base interactions energy: -100.090
where: short stacking energy: -54.025
Base-Backbone interact. energy: -0.184
local terms energy: -70.307860
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -163.868951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.868951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.868951 (E_RNA)
where:
Base-Base interactions energy: -100.305
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.105
local terms energy: -63.458827
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -5.485
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -92.433190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.433190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.433190 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -27.001
Base-Backbone interact. energy: -0.151
local terms energy: -59.276171
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.210
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: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -112.738881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.738881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.738881 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -41.963
Base-Backbone interact. energy: -0.149
local terms energy: -70.626678
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -85.401668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.401668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.401668 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -29.981
Base-Backbone interact. energy: -0.041
local terms energy: -55.379206
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -92.616388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.616388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.616388 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -36.705
Base-Backbone interact. energy: -0.067
local terms energy: -45.579932
where:
bonds (distance) C4'-P energy: -5.958
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -216.326454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.326454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.326454 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -74.218
Base-Backbone interact. energy: -0.123
local terms energy: -76.700203
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -215.940687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.940687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.940687 (E_RNA)
where:
Base-Base interactions energy: -135.787
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.289
local terms energy: -79.863719
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -188.218298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.218298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.218298 (E_RNA)
where:
Base-Base interactions energy: -111.760
where: short stacking energy: -67.605
Base-Backbone interact. energy: -0.045
local terms energy: -76.413260
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -167.800580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.800580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.800580 (E_RNA)
where:
Base-Base interactions energy: -95.398
where: short stacking energy: -49.841
Base-Backbone interact. energy: -1.370
local terms energy: -71.032559
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -172.402468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.402468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.402468 (E_RNA)
where:
Base-Base interactions energy: -102.368
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.005
local terms energy: -70.030274
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -100.440329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.440329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.440329 (E_RNA)
where:
Base-Base interactions energy: -48.074
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.244
local terms energy: -52.122233
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -149.004293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.004293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.004293 (E_RNA)
where:
Base-Base interactions energy: -89.498
where: short stacking energy: -45.492
Base-Backbone interact. energy: -0.096
local terms energy: -59.410553
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -14.068
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: 73
Temperature: 1.250000
Total energy: -91.764532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.764532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.764532 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.605
local terms energy: -51.621928
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -89.221750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221750 (E_RNA)
where:
Base-Base interactions energy: -33.531
where: short stacking energy: -29.805
Base-Backbone interact. energy: 1.679
local terms energy: -57.369705
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.140312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.140312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.140312 (E_RNA)
where:
Base-Base interactions energy: -31.028
where: short stacking energy: -29.268
Base-Backbone interact. energy: -0.047
local terms energy: -50.065867
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -209.427124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.427124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.427124 (E_RNA)
where:
Base-Base interactions energy: -129.477
where: short stacking energy: -65.228
Base-Backbone interact. energy: -0.038
local terms energy: -79.912309
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -208.065741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.065741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.065741 (E_RNA)
where:
Base-Base interactions energy: -129.477
where: short stacking energy: -80.286
Base-Backbone interact. energy: 0.990
local terms energy: -79.578743
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -187.456327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.456327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.456327 (E_RNA)
where:
Base-Base interactions energy: -113.574
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.578
local terms energy: -73.303792
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -13.749
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: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -172.983285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.983285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.983285 (E_RNA)
where:
Base-Base interactions energy: -109.674
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.021
local terms energy: -63.287886
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -8.977
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: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -169.630220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.630220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.630220 (E_RNA)
where:
Base-Base interactions energy: -102.749
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.254
local terms energy: -66.627275
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -96.030917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.030917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.030917 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.104
local terms energy: -60.147635
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -152.083213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.083213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.083213 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -50.960
Base-Backbone interact. energy: -0.960
local terms energy: -62.635332
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -6.455
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: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -87.334726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.334726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.334726 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.204
local terms energy: -55.739584
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -8.949
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: 74
Temperature: 1.300000
Total energy: -93.842820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842820 (E_RNA)
where:
Base-Base interactions energy: -42.536
where: short stacking energy: -42.536
Base-Backbone interact. energy: -0.099
local terms energy: -51.208243
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -5.854
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: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -113.131397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.131397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.131397 (E_RNA)
where:
Base-Base interactions energy: -52.262
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.236
local terms energy: -60.633814
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: 0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -222.740336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.740336 (E_RNA)
where:
Base-Base interactions energy: -135.267
where: short stacking energy: -78.026
Base-Backbone interact. energy: -0.905
local terms energy: -86.568272
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -22.128
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: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -184.031838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.031838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.031838 (E_RNA)
where:
Base-Base interactions energy: -110.859
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.218
local terms energy: -72.954365
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -197.097086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.097086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.097086 (E_RNA)
where:
Base-Base interactions energy: -120.399
where: short stacking energy: -66.191
Base-Backbone interact. energy: -1.554
local terms energy: -75.144499
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -194.060773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.060773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.060773 (E_RNA)
where:
Base-Base interactions energy: -118.630
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.138
local terms energy: -75.292404
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -159.968412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.968412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.968412 (E_RNA)
where:
Base-Base interactions energy: -91.517
where: short stacking energy: -56.114
Base-Backbone interact. energy: -0.073
local terms energy: -68.378644
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -9.574
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: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -153.874221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.874221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.874221 (E_RNA)
where:
Base-Base interactions energy: -87.190
where: short stacking energy: -51.627
Base-Backbone interact. energy: -0.026
local terms energy: -66.658625
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -91.118085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.118085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.118085 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -35.455
Base-Backbone interact. energy: 0.956
local terms energy: -51.145107
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -1.560
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: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -84.261752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.261752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.261752 (E_RNA)
where:
Base-Base interactions energy: -30.891
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.102
local terms energy: -53.268926
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -3.837
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: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -99.398561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.398561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.398561 (E_RNA)
where:
Base-Base interactions energy: -35.748
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.127
local terms energy: -63.523143
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -97.255016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.255016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.255016 (E_RNA)
where:
Base-Base interactions energy: -49.473
where: short stacking energy: -26.504
Base-Backbone interact. energy: -0.470
local terms energy: -47.311607
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -213.704969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.704969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.704969 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -78.111
Base-Backbone interact. energy: -0.007
local terms energy: -79.376578
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -184.812782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.812782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.812782 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.003
local terms energy: -69.208226
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -192.899977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.899977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.899977 (E_RNA)
where:
Base-Base interactions energy: -117.474
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.103
local terms energy: -75.322740
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -185.210793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.210793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.210793 (E_RNA)
where:
Base-Base interactions energy: -115.883
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.070
local terms energy: -69.257289
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -149.497270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.497270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.497270 (E_RNA)
where:
Base-Base interactions energy: -89.610
where: short stacking energy: -54.347
Base-Backbone interact. energy: -0.085
local terms energy: -59.802201
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.768
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: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -161.935927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.935927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.935927 (E_RNA)
where:
Base-Base interactions energy: -95.952
where: short stacking energy: -58.522
Base-Backbone interact. energy: -0.052
local terms energy: -65.932755
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -105.217881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.217881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.217881 (E_RNA)
where:
Base-Base interactions energy: -40.676
where: short stacking energy: -40.676
Base-Backbone interact. energy: -0.314
local terms energy: -64.227342
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -13.097
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: 76
Temperature: 1.250000
Total energy: -103.787689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.787689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.787689 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -36.568
Base-Backbone interact. energy: -0.008
local terms energy: -54.535944
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -1.262
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: 76
Temperature: 1.300000
Total energy: -82.286079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286079 (E_RNA)
where:
Base-Base interactions energy: -28.577
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.245
local terms energy: -53.463646
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -10.305
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: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.612016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.612016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.612016 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -28.040
Base-Backbone interact. energy: -0.241
local terms energy: -55.331152
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -223.758950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.758950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.758950 (E_RNA)
where:
Base-Base interactions energy: -135.267
where: short stacking energy: -76.627
Base-Backbone interact. energy: -0.067
local terms energy: -88.424994
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -213.452919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.452919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.452919 (E_RNA)
where:
Base-Base interactions energy: -127.678
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.022
local terms energy: -85.752983
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -24.082
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: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -184.763859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.763859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.763859 (E_RNA)
where:
Base-Base interactions energy: -110.886
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.717
local terms energy: -73.161091
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -9.417
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: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -160.777495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.777495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.777495 (E_RNA)
where:
Base-Base interactions energy: -92.262
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.748
local terms energy: -67.767744
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -181.959746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.959746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.959746 (E_RNA)
where:
Base-Base interactions energy: -121.142
where: short stacking energy: -67.459
Base-Backbone interact. energy: 2.612
local terms energy: -63.430587
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.589
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: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -97.253901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.253901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.253901 (E_RNA)
where:
Base-Base interactions energy: -44.663
where: short stacking energy: -40.757
Base-Backbone interact. energy: 0.894
local terms energy: -53.484959
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -144.401755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.401755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.401755 (E_RNA)
where:
Base-Base interactions energy: -86.237
where: short stacking energy: -37.381
Base-Backbone interact. energy: -0.225
local terms energy: -57.940153
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -103.875037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.875037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.875037 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.031
local terms energy: -63.843715
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -9.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -96.358639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.358639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.358639 (E_RNA)
where:
Base-Base interactions energy: -49.026
where: short stacking energy: -26.203
Base-Backbone interact. energy: -0.497
local terms energy: -46.836274
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -5.592
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -94.831160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.831160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.831160 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -29.752
Base-Backbone interact. energy: -0.009
local terms energy: -60.053643
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -220.496123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.496123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.496123 (E_RNA)
where:
Base-Base interactions energy: -141.647
where: short stacking energy: -84.539
Base-Backbone interact. energy: -0.112
local terms energy: -78.736545
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -219.895102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.895102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895102 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -77.012
Base-Backbone interact. energy: -0.053
local terms energy: -84.494343
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -23.840
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: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -158.540687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.540687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.540687 (E_RNA)
where:
Base-Base interactions energy: -92.633
where: short stacking energy: -50.610
Base-Backbone interact. energy: -0.350
local terms energy: -65.558123
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -12.075
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: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -183.891800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.891800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.891800 (E_RNA)
where:
Base-Base interactions energy: -105.846
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.083
local terms energy: -77.962609
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -18.302
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: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -170.966815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.966815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.966815 (E_RNA)
where:
Base-Base interactions energy: -103.674
where: short stacking energy: -53.187
Base-Backbone interact. energy: -0.030
local terms energy: -67.262641
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -98.275549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.275549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.275549 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -34.356
Base-Backbone interact. energy: 0.869
local terms energy: -64.788171
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -5.887
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -99.078476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.078476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.078476 (E_RNA)
where:
Base-Base interactions energy: -42.824
where: short stacking energy: -31.624
Base-Backbone interact. energy: -0.199
local terms energy: -56.055936
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -131.043632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.043632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.043632 (E_RNA)
where:
Base-Base interactions energy: -76.803
where: short stacking energy: -37.487
Base-Backbone interact. energy: -0.201
local terms energy: -54.039475
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -11.019
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: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -82.134026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.134026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.134026 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -27.207
Base-Backbone interact. energy: -0.792
local terms energy: -50.753079
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -87.059199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.059199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.059199 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -30.665
Base-Backbone interact. energy: -0.186
local terms energy: -56.207939
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.748
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: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -215.532725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.532725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.532725 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.047
local terms energy: -86.592846
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -210.738625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.738625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.738625 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -73.960
Base-Backbone interact. energy: -0.016
local terms energy: -84.564235
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -172.453427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.453427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.453427 (E_RNA)
where:
Base-Base interactions energy: -100.503
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.105
local terms energy: -71.845819
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -152.167562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.167562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.167562 (E_RNA)
where:
Base-Base interactions energy: -95.948
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.008
local terms energy: -56.211836
where:
bonds (distance) C4'-P energy: -6.244
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -171.445743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.445743 (E_RNA)
where:
Base-Base interactions energy: -98.645
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.613
local terms energy: -72.187671
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -111.537792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.537792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.537792 (E_RNA)
where:
Base-Base interactions energy: -50.702
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.095
local terms energy: -60.740538
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -121.517578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.517578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.517578 (E_RNA)
where:
Base-Base interactions energy: -64.892
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.257
local terms energy: -56.367824
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -146.922378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.922378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.922378 (E_RNA)
where:
Base-Base interactions energy: -81.385
where: short stacking energy: -34.996
Base-Backbone interact. energy: -0.133
local terms energy: -65.404371
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -83.488572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.488572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.488572 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -24.356
Base-Backbone interact. energy: 0.415
local terms energy: -54.283401
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -78.222229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.222229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.222229 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.497
local terms energy: -43.791742
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -2.413
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: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -230.296142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.296142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.296142 (E_RNA)
where:
Base-Base interactions energy: -148.439
where: short stacking energy: -81.030
Base-Backbone interact. energy: -0.914
local terms energy: -80.943900
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -205.916435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.916435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.916435 (E_RNA)
where:
Base-Base interactions energy: -130.383
where: short stacking energy: -80.691
Base-Backbone interact. energy: -0.014
local terms energy: -75.519834
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -179.255233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255233 (E_RNA)
where:
Base-Base interactions energy: -104.908
where: short stacking energy: -56.952
Base-Backbone interact. energy: -0.578
local terms energy: -73.768423
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -169.560031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.560031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.560031 (E_RNA)
where:
Base-Base interactions energy: -105.523
where: short stacking energy: -60.736
Base-Backbone interact. energy: -0.047
local terms energy: -63.989813
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.406
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: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -192.122383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.122383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.122383 (E_RNA)
where:
Base-Base interactions energy: -123.213
where: short stacking energy: -63.217
Base-Backbone interact. energy: -0.021
local terms energy: -68.888116
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -22.005
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: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -102.410024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.410024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.410024 (E_RNA)
where:
Base-Base interactions energy: -42.916
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.146
local terms energy: -59.347535
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -143.035962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.035962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.035962 (E_RNA)
where:
Base-Base interactions energy: -79.878
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.078
local terms energy: -63.080196
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -13.767
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: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -92.416394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416394 (E_RNA)
where:
Base-Base interactions energy: -42.704
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.130
local terms energy: -49.582350
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: 0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -87.382854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382854 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.204
local terms energy: -51.805215
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -84.783657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.783657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.783657 (E_RNA)
where:
Base-Base interactions energy: -30.772
where: short stacking energy: -30.772
Base-Backbone interact. energy: -0.181
local terms energy: -53.831243
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -10.041
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -227.381704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.381704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.381704 (E_RNA)
where:
Base-Base interactions energy: -137.865
where: short stacking energy: -85.633
Base-Backbone interact. energy: -0.011
local terms energy: -89.505725
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -22.521
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: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -204.660416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.660416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.660416 (E_RNA)
where:
Base-Base interactions energy: -124.729
where: short stacking energy: -73.183
Base-Backbone interact. energy: -0.009
local terms energy: -79.922241
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -177.646960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.646960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.646960 (E_RNA)
where:
Base-Base interactions energy: -97.468
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.116
local terms energy: -80.063165
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -179.032043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.032043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.032043 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.018
local terms energy: -69.466049
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -180.481709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.481709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.481709 (E_RNA)
where:
Base-Base interactions energy: -103.136
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.005
local terms energy: -77.340473
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -18.394
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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -158.123513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.123513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.123513 (E_RNA)
where:
Base-Base interactions energy: -88.745
where: short stacking energy: -40.431
Base-Backbone interact. energy: -0.217
local terms energy: -69.161691
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -11.934
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: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -111.750298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.750298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.750298 (E_RNA)
where:
Base-Base interactions energy: -50.758
where: short stacking energy: -30.091
Base-Backbone interact. energy: 0.065
local terms energy: -61.057364
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -90.520421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.520421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.520421 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -39.913
Base-Backbone interact. energy: 1.416
local terms energy: -51.741482
where:
bonds (distance) C4'-P energy: -7.089
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -98.981959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.981959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.981959 (E_RNA)
where:
Base-Base interactions energy: -38.720
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.020
local terms energy: -60.241706
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -10.043
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: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -139.790482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.790482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.790482 (E_RNA)
where:
Base-Base interactions energy: -81.156
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.125
local terms energy: -58.509883
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -210.620706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.620706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.620706 (E_RNA)
where:
Base-Base interactions energy: -128.091
where: short stacking energy: -71.728
Base-Backbone interact. energy: -0.152
local terms energy: -82.377393
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -209.477078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477078 (E_RNA)
where:
Base-Base interactions energy: -134.773
where: short stacking energy: -69.806
Base-Backbone interact. energy: 0.620
local terms energy: -75.323823
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -180.203709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.203709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.203709 (E_RNA)
where:
Base-Base interactions energy: -107.813
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.013
local terms energy: -72.378059
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -9.685
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: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -172.529601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.529601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.529601 (E_RNA)
where:
Base-Base interactions energy: -106.076
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.312
local terms energy: -66.141002
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -169.172413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.172413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.172413 (E_RNA)
where:
Base-Base interactions energy: -95.520
where: short stacking energy: -52.182
Base-Backbone interact. energy: -0.073
local terms energy: -73.579507
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -12.491
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: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -155.046810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.046810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.046810 (E_RNA)
where:
Base-Base interactions energy: -82.108
where: short stacking energy: -50.135
Base-Backbone interact. energy: -0.173
local terms energy: -72.765816
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -16.422
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: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -102.752403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.752403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.752403 (E_RNA)
where:
Base-Base interactions energy: -53.950
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.147
local terms energy: -48.655629
where:
bonds (distance) C4'-P energy: -3.358
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -100.880667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.880667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.880667 (E_RNA)
where:
Base-Base interactions energy: -47.761
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.824
local terms energy: -52.296240
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -4.737
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: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -124.441289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.441289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.441289 (E_RNA)
where:
Base-Base interactions energy: -65.202
where: short stacking energy: -38.708
Base-Backbone interact. energy: -0.074
local terms energy: -59.165586
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -13.425
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: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -81.816777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.816777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.816777 (E_RNA)
where:
Base-Base interactions energy: -27.887
where: short stacking energy: -27.887
Base-Backbone interact. energy: -0.084
local terms energy: -53.846341
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -6.061
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: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -211.100768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.100768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.100768 (E_RNA)
where:
Base-Base interactions energy: -131.599
where: short stacking energy: -81.008
Base-Backbone interact. energy: -0.016
local terms energy: -79.485252
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -22.991
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -187.242740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.242740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.242740 (E_RNA)
where:
Base-Base interactions energy: -113.949
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.292
local terms energy: -73.001525
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -211.592483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.592483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.592483 (E_RNA)
where:
Base-Base interactions energy: -128.669
where: short stacking energy: -75.052
Base-Backbone interact. energy: -0.006
local terms energy: -82.917923
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -23.452
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: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -170.309464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.309464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.309464 (E_RNA)
where:
Base-Base interactions energy: -100.449
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.585
local terms energy: -69.275203
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -11.814
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: 83
Temperature: 1.100000
Total energy: -167.629857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.629857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.629857 (E_RNA)
where:
Base-Base interactions energy: -101.304
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.003
local terms energy: -66.323093
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -14.307
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: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -156.865173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.865173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.865173 (E_RNA)
where:
Base-Base interactions energy: -86.905
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.314
local terms energy: -69.646848
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -11.435
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: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -96.207639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.207639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.207639 (E_RNA)
where:
Base-Base interactions energy: -39.605
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.225
local terms energy: -56.377519
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -7.384
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: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -122.419391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.419391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.419391 (E_RNA)
where:
Base-Base interactions energy: -69.751
where: short stacking energy: -33.754
Base-Backbone interact. energy: -0.197
local terms energy: -52.471712
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -119.331694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.331694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.331694 (E_RNA)
where:
Base-Base interactions energy: -60.225
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.007
local terms energy: -59.099793
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.168
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: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -71.347073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.347073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.347073 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -31.748
Base-Backbone interact. energy: 0.415
local terms energy: -40.014024
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -202.451368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.451368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.451368 (E_RNA)
where:
Base-Base interactions energy: -132.020
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.340
local terms energy: -70.091662
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -197.025848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.025848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.025848 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.049
local terms energy: -75.883545
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -203.966263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.966263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.966263 (E_RNA)
where:
Base-Base interactions energy: -130.930
where: short stacking energy: -70.136
Base-Backbone interact. energy: 0.032
local terms energy: -73.068505
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -162.057724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.057724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.057724 (E_RNA)
where:
Base-Base interactions energy: -89.682
where: short stacking energy: -54.561
Base-Backbone interact. energy: -0.051
local terms energy: -72.324787
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -160.430055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.430055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.430055 (E_RNA)
where:
Base-Base interactions energy: -94.135
where: short stacking energy: -55.528
Base-Backbone interact. energy: 0.026
local terms energy: -66.321204
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -155.502275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.502275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.502275 (E_RNA)
where:
Base-Base interactions energy: -91.967
where: short stacking energy: -49.010
Base-Backbone interact. energy: -0.185
local terms energy: -63.351021
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -150.126071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.126071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.126071 (E_RNA)
where:
Base-Base interactions energy: -85.163
where: short stacking energy: -41.437
Base-Backbone interact. energy: -0.423
local terms energy: -64.539760
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.877
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: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -88.665805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.665805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.665805 (E_RNA)
where:
Base-Base interactions energy: -41.832
where: short stacking energy: -36.199
Base-Backbone interact. energy: -0.117
local terms energy: -46.716631
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -7.186
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: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -122.745997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.745997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.745997 (E_RNA)
where:
Base-Base interactions energy: -67.911
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.126
local terms energy: -54.708874
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -86.860454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860454 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -37.436
Base-Backbone interact. energy: -0.111
local terms energy: -49.313534
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -6.309
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -204.370126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.370126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.370126 (E_RNA)
where:
Base-Base interactions energy: -124.857
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.346
local terms energy: -79.167032
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -208.975441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.975441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.975441 (E_RNA)
where:
Base-Base interactions energy: -127.800
where: short stacking energy: -75.141
Base-Backbone interact. energy: 0.811
local terms energy: -81.986209
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -198.913749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.913749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.913749 (E_RNA)
where:
Base-Base interactions energy: -116.894
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.107
local terms energy: -81.912580
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -155.298503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.298503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.298503 (E_RNA)
where:
Base-Base interactions energy: -77.655
where: short stacking energy: -47.552
Base-Backbone interact. energy: 0.957
local terms energy: -78.600724
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -14.803
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -160.118060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.118060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.118060 (E_RNA)
where:
Base-Base interactions energy: -93.139
where: short stacking energy: -54.517
Base-Backbone interact. energy: -0.352
local terms energy: -66.627363
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -170.492975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.492975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.492975 (E_RNA)
where:
Base-Base interactions energy: -101.638
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.006
local terms energy: -68.848822
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -14.713
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: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -139.079818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.079818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.079818 (E_RNA)
where:
Base-Base interactions energy: -78.812
where: short stacking energy: -47.334
Base-Backbone interact. energy: -0.096
local terms energy: -60.171869
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.588
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -144.352314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.352314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.352314 (E_RNA)
where:
Base-Base interactions energy: -89.545
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.230
local terms energy: -54.577993
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -10.645
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: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -85.116236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.116236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.116236 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.165
local terms energy: -53.119436
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.191
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: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -77.616393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.616393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.616393 (E_RNA)
where:
Base-Base interactions energy: -27.550
where: short stacking energy: -27.334
Base-Backbone interact. energy: -0.455
local terms energy: -49.611238
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -212.884709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.884709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884709 (E_RNA)
where:
Base-Base interactions energy: -134.721
where: short stacking energy: -78.148
Base-Backbone interact. energy: -0.007
local terms energy: -78.157457
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -197.171468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.171468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.171468 (E_RNA)
where:
Base-Base interactions energy: -123.594
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.081
local terms energy: -73.496594
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -170.720853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.720853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.720853 (E_RNA)
where:
Base-Base interactions energy: -107.868
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.044
local terms energy: -62.808569
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -1.174
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: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -183.497395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.497395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.497395 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.083
local terms energy: -70.957503
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -175.313113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.313113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.313113 (E_RNA)
where:
Base-Base interactions energy: -105.313
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.479
local terms energy: -69.521463
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -16.316
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: 86
Temperature: 1.150000
Total energy: -152.973375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.973375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.973375 (E_RNA)
where:
Base-Base interactions energy: -93.397
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.125
local terms energy: -59.451123
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -14.259
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: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -129.555728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.555728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.555728 (E_RNA)
where:
Base-Base interactions energy: -71.307
where: short stacking energy: -40.561
Base-Backbone interact. energy: -0.283
local terms energy: -57.965398
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -134.801942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.801942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.801942 (E_RNA)
where:
Base-Base interactions energy: -73.665
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.628
local terms energy: -60.509661
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -105.234726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.234726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.234726 (E_RNA)
where:
Base-Base interactions energy: -55.283
where: short stacking energy: -29.129
Base-Backbone interact. energy: -0.130
local terms energy: -49.821468
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: 3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -81.145996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.145996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.145996 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -32.102
Base-Backbone interact. energy: -0.177
local terms energy: -48.866005
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -225.893046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.893046 (E_RNA)
where:
Base-Base interactions energy: -138.943
where: short stacking energy: -80.572
Base-Backbone interact. energy: -0.065
local terms energy: -86.884844
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -191.664498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.664498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.664498 (E_RNA)
where:
Base-Base interactions energy: -123.148
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.049
local terms energy: -68.467331
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -11.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -160.961199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.961199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.961199 (E_RNA)
where:
Base-Base interactions energy: -100.423
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.276
local terms energy: -60.261497
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.272
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: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -203.602307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.602307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.602307 (E_RNA)
where:
Base-Base interactions energy: -124.118
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.103
local terms energy: -79.380956
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -20.402
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: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -153.683089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.683089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.683089 (E_RNA)
where:
Base-Base interactions energy: -90.251
where: short stacking energy: -48.519
Base-Backbone interact. energy: -0.125
local terms energy: -63.307344
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -135.071053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.071053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.071053 (E_RNA)
where:
Base-Base interactions energy: -80.637
where: short stacking energy: -50.566
Base-Backbone interact. energy: -0.009
local terms energy: -54.425132
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -154.221171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.221171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.221171 (E_RNA)
where:
Base-Base interactions energy: -90.359
where: short stacking energy: -41.410
Base-Backbone interact. energy: -0.070
local terms energy: -63.791655
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -132.215622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.215622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.215622 (E_RNA)
where:
Base-Base interactions energy: -75.308
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.101
local terms energy: -56.807172
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -6.891
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: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -79.603636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603636 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -25.445
Base-Backbone interact. energy: -0.730
local terms energy: -51.545090
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -84.612930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612930 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.441
local terms energy: -51.461983
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: 2.103
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: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -216.156502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.156502 (E_RNA)
where:
Base-Base interactions energy: -137.233
where: short stacking energy: -79.902
Base-Backbone interact. energy: -0.002
local terms energy: -78.921417
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -205.931645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.931645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.931645 (E_RNA)
where:
Base-Base interactions energy: -131.103
where: short stacking energy: -70.559
Base-Backbone interact. energy: -0.011
local terms energy: -74.817277
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -200.978365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.978365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.978365 (E_RNA)
where:
Base-Base interactions energy: -120.760
where: short stacking energy: -69.713
Base-Backbone interact. energy: -0.082
local terms energy: -80.136331
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -18.843
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -170.606232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.606232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.606232 (E_RNA)
where:
Base-Base interactions energy: -101.698
where: short stacking energy: -57.015
Base-Backbone interact. energy: -0.039
local terms energy: -68.868777
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -169.385865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.385865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.385865 (E_RNA)
where:
Base-Base interactions energy: -94.788
where: short stacking energy: -52.051
Base-Backbone interact. energy: -0.003
local terms energy: -74.594846
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -104.172186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.172186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.172186 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.054
local terms energy: -66.079183
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -123.226639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.226639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.226639 (E_RNA)
where:
Base-Base interactions energy: -71.575
where: short stacking energy: -43.853
Base-Backbone interact. energy: -0.167
local terms energy: -51.484538
where:
bonds (distance) C4'-P energy: -6.501
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -142.832566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.832566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.832566 (E_RNA)
where:
Base-Base interactions energy: -81.313
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.199
local terms energy: -61.319854
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -96.959697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.959697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.959697 (E_RNA)
where:
Base-Base interactions energy: -37.665
where: short stacking energy: -36.123
Base-Backbone interact. energy: -0.662
local terms energy: -58.632734
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -10.367
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: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -79.779919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.779919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.779919 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -26.307
Base-Backbone interact. energy: 0.533
local terms energy: -44.915672
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -6.753
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: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -218.358093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.358093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.358093 (E_RNA)
where:
Base-Base interactions energy: -131.185
where: short stacking energy: -79.006
Base-Backbone interact. energy: -0.025
local terms energy: -87.147502
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -207.082847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.082847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.082847 (E_RNA)
where:
Base-Base interactions energy: -122.807
where: short stacking energy: -72.849
Base-Backbone interact. energy: -0.002
local terms energy: -84.273712
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -198.390504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.390504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.390504 (E_RNA)
where:
Base-Base interactions energy: -120.282
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.002
local terms energy: -78.106836
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -178.533436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.533436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.533436 (E_RNA)
where:
Base-Base interactions energy: -105.148
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.118
local terms energy: -73.266845
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -16.830
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: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -156.216764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.216764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.216764 (E_RNA)
where:
Base-Base interactions energy: -88.147
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.745
local terms energy: -67.324626
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -151.338217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.338217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.338217 (E_RNA)
where:
Base-Base interactions energy: -89.068
where: short stacking energy: -40.373
Base-Backbone interact. energy: -0.069
local terms energy: -62.200723
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -6.098
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: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -101.538722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.538722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.538722 (E_RNA)
where:
Base-Base interactions energy: -44.851
where: short stacking energy: -40.381
Base-Backbone interact. energy: 0.158
local terms energy: -56.846299
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -7.711
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: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -90.043928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.043928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.043928 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.041
local terms energy: -59.774820
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -147.215716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.215716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.215716 (E_RNA)
where:
Base-Base interactions energy: -86.376
where: short stacking energy: -45.789
Base-Backbone interact. energy: 0.513
local terms energy: -61.353099
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -85.516299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.516299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.516299 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -29.441
Base-Backbone interact. energy: -0.051
local terms energy: -52.351624
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -220.179279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.179279 (E_RNA)
where:
Base-Base interactions energy: -132.276
where: short stacking energy: -76.593
Base-Backbone interact. energy: -1.945
local terms energy: -85.958889
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -207.876098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.876098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.876098 (E_RNA)
where:
Base-Base interactions energy: -132.597
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.161
local terms energy: -75.118001
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -204.519468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.519468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.519468 (E_RNA)
where:
Base-Base interactions energy: -123.843
where: short stacking energy: -69.629
Base-Backbone interact. energy: -0.002
local terms energy: -80.673655
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -181.399351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.399351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.399351 (E_RNA)
where:
Base-Base interactions energy: -109.567
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.104
local terms energy: -71.728283
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -17.473
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: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -153.271480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.271480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.271480 (E_RNA)
where:
Base-Base interactions energy: -88.536
where: short stacking energy: -48.583
Base-Backbone interact. energy: -0.109
local terms energy: -64.626807
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.756
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: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -150.793665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.793665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.793665 (E_RNA)
where:
Base-Base interactions energy: -91.682
where: short stacking energy: -47.159
Base-Backbone interact. energy: -0.089
local terms energy: -59.022755
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -9.275
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: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -128.418098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.418098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.418098 (E_RNA)
where:
Base-Base interactions energy: -69.234
where: short stacking energy: -41.971
Base-Backbone interact. energy: -0.175
local terms energy: -59.008639
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -10.053
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: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -88.179462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.179462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.179462 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.059
local terms energy: -55.673094
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -131.411581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.411581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.411581 (E_RNA)
where:
Base-Base interactions energy: -73.733
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.051
local terms energy: -57.628017
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -4.358
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: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -98.363202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.363202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.363202 (E_RNA)
where:
Base-Base interactions energy: -56.237
where: short stacking energy: -26.718
Base-Backbone interact. energy: 1.582
local terms energy: -43.708834
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -215.995888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.995888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.995888 (E_RNA)
where:
Base-Base interactions energy: -131.729
where: short stacking energy: -77.642
Base-Backbone interact. energy: -0.236
local terms energy: -84.031459
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -212.318778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318778 (E_RNA)
where:
Base-Base interactions energy: -130.987
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.105
local terms energy: -81.226651
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -201.685335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.685335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.685335 (E_RNA)
where:
Base-Base interactions energy: -127.715
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.028
local terms energy: -73.942418
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -164.313294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.313294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.313294 (E_RNA)
where:
Base-Base interactions energy: -95.981
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.043
local terms energy: -68.289743
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.628
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -168.599392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.599392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.599392 (E_RNA)
where:
Base-Base interactions energy: -102.307
where: short stacking energy: -51.380
Base-Backbone interact. energy: -0.097
local terms energy: -66.195403
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -11.312
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: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -158.026719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.026719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.026719 (E_RNA)
where:
Base-Base interactions energy: -95.019
where: short stacking energy: -42.901
Base-Backbone interact. energy: -0.156
local terms energy: -62.851112
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -6.817
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: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -129.454765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.454765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.454765 (E_RNA)
where:
Base-Base interactions energy: -77.616
where: short stacking energy: -43.637
Base-Backbone interact. energy: -0.200
local terms energy: -51.639200
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -1.510
tors. eta vs tors. theta energy: -5.205
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: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -135.766881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.766881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.766881 (E_RNA)
where:
Base-Base interactions energy: -69.629
where: short stacking energy: -45.124
Base-Backbone interact. energy: -0.077
local terms energy: -66.060158
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -88.881062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.881062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.881062 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.290
local terms energy: -54.327217
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -8.494
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: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -91.447731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.447731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.447731 (E_RNA)
where:
Base-Base interactions energy: -48.473
where: short stacking energy: -34.369
Base-Backbone interact. energy: 4.709
local terms energy: -47.684171
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -2.978
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: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -211.855896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.855896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.855896 (E_RNA)
where:
Base-Base interactions energy: -130.282
where: short stacking energy: -75.305
Base-Backbone interact. energy: -0.008
local terms energy: -81.565635
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -23.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -212.452697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.452697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.452697 (E_RNA)
where:
Base-Base interactions energy: -135.031
where: short stacking energy: -76.817
Base-Backbone interact. energy: -0.019
local terms energy: -77.402291
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -19.176
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: 92
Temperature: 1.000000
Total energy: -185.591776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.591776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.591776 (E_RNA)
where:
Base-Base interactions energy: -111.067
where: short stacking energy: -63.859
Base-Backbone interact. energy: -0.060
local terms energy: -74.464229
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -184.494907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.494907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.494907 (E_RNA)
where:
Base-Base interactions energy: -116.917
where: short stacking energy: -71.548
Base-Backbone interact. energy: -0.053
local terms energy: -67.524827
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -17.067
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -175.695568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.695568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.695568 (E_RNA)
where:
Base-Base interactions energy: -101.602
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.027
local terms energy: -74.067117
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -150.924317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.924317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.924317 (E_RNA)
where:
Base-Base interactions energy: -91.142
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.981
local terms energy: -58.801897
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -130.821043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.821043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.821043 (E_RNA)
where:
Base-Base interactions energy: -74.868
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.129
local terms energy: -55.823968
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -4.757
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: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -126.448640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.448640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.448640 (E_RNA)
where:
Base-Base interactions energy: -69.069
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.624
local terms energy: -56.755049
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -83.904249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.904249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.904249 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.597
local terms energy: -53.696598
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -90.719619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.719619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.719619 (E_RNA)
where:
Base-Base interactions energy: -41.863
where: short stacking energy: -28.492
Base-Backbone interact. energy: -0.088
local terms energy: -48.768262
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -226.886607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.886607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.886607 (E_RNA)
where:
Base-Base interactions energy: -139.895
where: short stacking energy: -80.074
Base-Backbone interact. energy: -0.002
local terms energy: -86.990064
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -206.942416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.942416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.942416 (E_RNA)
where:
Base-Base interactions energy: -128.837
where: short stacking energy: -70.476
Base-Backbone interact. energy: -0.008
local terms energy: -78.097438
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -188.872528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.872528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.872528 (E_RNA)
where:
Base-Base interactions energy: -114.898
where: short stacking energy: -65.473
Base-Backbone interact. energy: -0.113
local terms energy: -73.860860
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -179.395364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.395364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.395364 (E_RNA)
where:
Base-Base interactions energy: -111.777
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.350
local terms energy: -67.268679
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -16.751
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: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -169.154270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.154270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.154270 (E_RNA)
where:
Base-Base interactions energy: -103.853
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.603
local terms energy: -64.698457
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -154.572030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.572030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.572030 (E_RNA)
where:
Base-Base interactions energy: -88.960
where: short stacking energy: -44.985
Base-Backbone interact. energy: -0.102
local terms energy: -65.510631
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -8.949
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: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -129.671201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.671201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.671201 (E_RNA)
where:
Base-Base interactions energy: -75.959
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.183
local terms energy: -53.529193
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -6.677
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.786
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: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -102.464383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.464383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.464383 (E_RNA)
where:
Base-Base interactions energy: -46.508
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.130
local terms energy: -55.826101
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -93.324794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.324794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.324794 (E_RNA)
where:
Base-Base interactions energy: -40.293
where: short stacking energy: -38.524
Base-Backbone interact. energy: -0.015
local terms energy: -53.017322
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -110.915607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.915607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.915607 (E_RNA)
where:
Base-Base interactions energy: -63.642
where: short stacking energy: -25.502
Base-Backbone interact. energy: 2.867
local terms energy: -50.140576
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -220.319143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.319143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.319143 (E_RNA)
where:
Base-Base interactions energy: -134.606
where: short stacking energy: -79.480
Base-Backbone interact. energy: -0.004
local terms energy: -85.709666
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -205.961258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.961258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.961258 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.005
local terms energy: -76.350186
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -20.311
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: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -184.598765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.598765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.598765 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.094
local terms energy: -75.848535
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -177.739693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.739693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.739693 (E_RNA)
where:
Base-Base interactions energy: -111.244
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.379
local terms energy: -66.117401
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -150.562290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.562290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.562290 (E_RNA)
where:
Base-Base interactions energy: -84.602
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.115
local terms energy: -65.845112
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -10.328
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: 94
Temperature: 1.150000
Total energy: -156.102539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.102539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.102539 (E_RNA)
where:
Base-Base interactions energy: -96.817
where: short stacking energy: -46.966
Base-Backbone interact. energy: -0.137
local terms energy: -59.148631
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -135.929194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.929194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.929194 (E_RNA)
where:
Base-Base interactions energy: -73.142
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.548
local terms energy: -62.238597
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -11.742
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: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -101.156734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.156734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.156734 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -33.583
Base-Backbone interact. energy: -0.780
local terms energy: -56.294222
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -96.782964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.782964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.782964 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.375
local terms energy: -52.196558
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -80.607673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.607673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.607673 (E_RNA)
where:
Base-Base interactions energy: -26.769
where: short stacking energy: -26.769
Base-Backbone interact. energy: -0.312
local terms energy: -53.526042
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -1.098
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -211.123138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.123138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.123138 (E_RNA)
where:
Base-Base interactions energy: -131.150
where: short stacking energy: -77.397
Base-Backbone interact. energy: -0.159
local terms energy: -79.814464
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -20.679
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: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -200.623559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.623559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.623559 (E_RNA)
where:
Base-Base interactions energy: -122.534
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.106
local terms energy: -77.983427
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -189.056811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.056811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.056811 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -69.455
Base-Backbone interact. energy: 0.266
local terms energy: -72.470409
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -156.868626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.868626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.868626 (E_RNA)
where:
Base-Base interactions energy: -87.202
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.073
local terms energy: -69.593896
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -12.203
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: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -171.863116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.863116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.863116 (E_RNA)
where:
Base-Base interactions energy: -103.306
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.256
local terms energy: -68.300514
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -131.923037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.923037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.923037 (E_RNA)
where:
Base-Base interactions energy: -74.027
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.364
local terms energy: -57.531442
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -12.544
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: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -149.448209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.448209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.448209 (E_RNA)
where:
Base-Base interactions energy: -91.680
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.137
local terms energy: -57.631482
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -9.782
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: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -95.138429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.138429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.138429 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -35.239
Base-Backbone interact. energy: 2.285
local terms energy: -62.184345
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -76.652337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.652337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.652337 (E_RNA)
where:
Base-Base interactions energy: -33.062
where: short stacking energy: -31.679
Base-Backbone interact. energy: 1.264
local terms energy: -44.854161
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -0.519
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: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -116.090532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.090532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.090532 (E_RNA)
where:
Base-Base interactions energy: -72.169
where: short stacking energy: -28.432
Base-Backbone interact. energy: -0.359
local terms energy: -43.562527
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -216.771405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.771405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.771405 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.243
local terms energy: -79.595833
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -207.253385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.253385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.253385 (E_RNA)
where:
Base-Base interactions energy: -130.351
where: short stacking energy: -69.290
Base-Backbone interact. energy: -0.179
local terms energy: -76.723301
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -19.063
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: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -194.017206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.017206 (E_RNA)
where:
Base-Base interactions energy: -117.560
where: short stacking energy: -66.570
Base-Backbone interact. energy: 0.641
local terms energy: -77.098747
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -163.965477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.965477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.965477 (E_RNA)
where:
Base-Base interactions energy: -92.935
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.049
local terms energy: -70.981430
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -169.646932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.646932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.646932 (E_RNA)
where:
Base-Base interactions energy: -97.983
where: short stacking energy: -56.558
Base-Backbone interact. energy: -0.022
local terms energy: -71.642492
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -158.378363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.378363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.378363 (E_RNA)
where:
Base-Base interactions energy: -88.586
where: short stacking energy: -51.948
Base-Backbone interact. energy: -0.296
local terms energy: -69.496007
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -141.842232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.842232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.842232 (E_RNA)
where:
Base-Base interactions energy: -83.124
where: short stacking energy: -47.351
Base-Backbone interact. energy: 0.781
local terms energy: -59.499198
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -95.810486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.810486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.810486 (E_RNA)
where:
Base-Base interactions energy: -43.169
where: short stacking energy: -38.903
Base-Backbone interact. energy: -0.357
local terms energy: -52.285027
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -6.661
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: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -88.957801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957801 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -19.272
Base-Backbone interact. energy: -0.251
local terms energy: -52.848197
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -91.106633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.106633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.106633 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -35.701
Base-Backbone interact. energy: -0.297
local terms energy: -50.337722
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -190.510990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.510990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.510990 (E_RNA)
where:
Base-Base interactions energy: -109.901
where: short stacking energy: -59.505
Base-Backbone interact. energy: -0.064
local terms energy: -80.545752
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -18.525
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: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -190.169573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.169573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.169573 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -65.646
Base-Backbone interact. energy: 0.324
local terms energy: -71.232534
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -197.397445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.397445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.397445 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.104
local terms energy: -66.641805
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -168.702945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.702945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.702945 (E_RNA)
where:
Base-Base interactions energy: -99.578
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.059
local terms energy: -69.066120
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -155.928962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.928962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.928962 (E_RNA)
where:
Base-Base interactions energy: -93.339
where: short stacking energy: -47.640
Base-Backbone interact. energy: -0.464
local terms energy: -62.125809
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.908
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -146.256387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.256387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.256387 (E_RNA)
where:
Base-Base interactions energy: -88.763
where: short stacking energy: -46.849
Base-Backbone interact. energy: -1.875
local terms energy: -55.618756
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -150.534725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.534725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.534725 (E_RNA)
where:
Base-Base interactions energy: -81.050
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.252
local terms energy: -69.233163
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -95.181937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.181937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.181937 (E_RNA)
where:
Base-Base interactions energy: -33.482
where: short stacking energy: -30.707
Base-Backbone interact. energy: -0.197
local terms energy: -61.503230
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -92.857166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.857166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.857166 (E_RNA)
where:
Base-Base interactions energy: -41.638
where: short stacking energy: -25.865
Base-Backbone interact. energy: 1.182
local terms energy: -52.401156
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -3.361
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: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -83.287088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.287088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.287088 (E_RNA)
where:
Base-Base interactions energy: -29.858
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.091
local terms energy: -53.337784
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -10.187
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: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -204.387319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.387319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.387319 (E_RNA)
where:
Base-Base interactions energy: -130.219
where: short stacking energy: -69.937
Base-Backbone interact. energy: 1.413
local terms energy: -75.581268
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -193.678575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.678575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.678575 (E_RNA)
where:
Base-Base interactions energy: -118.631
where: short stacking energy: -69.440
Base-Backbone interact. energy: -0.151
local terms energy: -74.897055
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -192.988678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988678 (E_RNA)
where:
Base-Base interactions energy: -117.834
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.137
local terms energy: -75.017971
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -151.499279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.499279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.499279 (E_RNA)
where:
Base-Base interactions energy: -84.445
where: short stacking energy: -52.868
Base-Backbone interact. energy: -0.079
local terms energy: -66.975507
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -158.628577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.628577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.628577 (E_RNA)
where:
Base-Base interactions energy: -94.262
where: short stacking energy: -48.240
Base-Backbone interact. energy: -0.669
local terms energy: -63.697580
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -143.407417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.407417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.407417 (E_RNA)
where:
Base-Base interactions energy: -80.741
where: short stacking energy: -50.402
Base-Backbone interact. energy: 1.347
local terms energy: -64.013882
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -10.130
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: 98
Temperature: 1.200000
Total energy: -115.701993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.701993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.701993 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -46.609
Base-Backbone interact. energy: -0.133
local terms energy: -63.455351
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -10.656
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: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -145.955092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.955092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.955092 (E_RNA)
where:
Base-Base interactions energy: -80.736
where: short stacking energy: -39.796
Base-Backbone interact. energy: -0.049
local terms energy: -65.170046
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.257
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: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -77.721486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.721486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.721486 (E_RNA)
where:
Base-Base interactions energy: -18.990
where: short stacking energy: -18.990
Base-Backbone interact. energy: 0.121
local terms energy: -58.852877
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -13.104
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: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -98.456024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.456024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.456024 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -37.669
Base-Backbone interact. energy: 0.561
local terms energy: -61.348434
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -9.789
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: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -204.549241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.549241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.549241 (E_RNA)
where:
Base-Base interactions energy: -124.685
where: short stacking energy: -68.721
Base-Backbone interact. energy: -0.001
local terms energy: -79.863770
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -189.981494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.981494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.981494 (E_RNA)
where:
Base-Base interactions energy: -120.648
where: short stacking energy: -68.517
Base-Backbone interact. energy: -0.078
local terms energy: -69.256000
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: 1.028
tors. eta vs tors. theta energy: -19.691
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -206.167226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167226 (E_RNA)
where:
Base-Base interactions energy: -131.092
where: short stacking energy: -68.429
Base-Backbone interact. energy: -0.031
local terms energy: -75.043619
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -168.256686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.256686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.256686 (E_RNA)
where:
Base-Base interactions energy: -98.065
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.613
local terms energy: -69.578716
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -146.760917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.760917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.760917 (E_RNA)
where:
Base-Base interactions energy: -79.626
where: short stacking energy: -38.599
Base-Backbone interact. energy: 0.438
local terms energy: -67.572513
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -108.132095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.132095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.132095 (E_RNA)
where:
Base-Base interactions energy: -42.663
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.170
local terms energy: -65.299034
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -7.240
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: 99
Temperature: 1.200000
Total energy: -150.590219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.590219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.590219 (E_RNA)
where:
Base-Base interactions energy: -89.561
where: short stacking energy: -51.000
Base-Backbone interact. energy: -0.294
local terms energy: -60.734799
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -9.139
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: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -96.612206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.612206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.612206 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.148
local terms energy: -63.849813
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -120.025570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.025570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.025570 (E_RNA)
where:
Base-Base interactions energy: -79.710
where: short stacking energy: -42.698
Base-Backbone interact. energy: 0.264
local terms energy: -40.579707
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -79.162876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.162876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.162876 (E_RNA)
where:
Base-Base interactions energy: -27.703
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.326
local terms energy: -51.133962
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -4.111
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: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -222.521730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.521730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.521730 (E_RNA)
where:
Base-Base interactions energy: -137.933
where: short stacking energy: -74.804
Base-Backbone interact. energy: -0.012
local terms energy: -84.576417
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -195.326318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.326318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.326318 (E_RNA)
where:
Base-Base interactions energy: -124.233
where: short stacking energy: -70.881
Base-Backbone interact. energy: -0.373
local terms energy: -70.720702
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -211.500501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.500501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.500501 (E_RNA)
where:
Base-Base interactions energy: -134.416
where: short stacking energy: -78.959
Base-Backbone interact. energy: 1.672
local terms energy: -78.756459
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -23.838
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -159.962238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.962238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.962238 (E_RNA)
where:
Base-Base interactions energy: -90.921
where: short stacking energy: -48.064
Base-Backbone interact. energy: -0.110
local terms energy: -68.931249
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -172.150611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.150611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.150611 (E_RNA)
where:
Base-Base interactions energy: -104.655
where: short stacking energy: -58.247
Base-Backbone interact. energy: 0.703
local terms energy: -68.198506
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -13.571
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: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -127.063107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.063107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.063107 (E_RNA)
where:
Base-Base interactions energy: -66.251
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.000
local terms energy: -60.812036
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -9.765
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: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -151.913737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.913737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.913737 (E_RNA)
where:
Base-Base interactions energy: -93.530
where: short stacking energy: -58.247
Base-Backbone interact. energy: -0.198
local terms energy: -58.184878
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.782063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.782063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.782063 (E_RNA)
where:
Base-Base interactions energy: -43.150
where: short stacking energy: -28.774
Base-Backbone interact. energy: 0.227
local terms energy: -47.859528
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -4.363
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: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -90.634207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.634207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.634207 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -34.726
Base-Backbone interact. energy: 0.740
local terms energy: -56.648381
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -2.899
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: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -91.138003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138003 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -22.648
Base-Backbone interact. energy: -0.162
local terms energy: -50.556612
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -218.330986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.330986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.330986 (E_RNA)
where:
Base-Base interactions energy: -139.140
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.001
local terms energy: -79.189809
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -18.709
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: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -207.583797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.583797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.583797 (E_RNA)
where:
Base-Base interactions energy: -127.800
where: short stacking energy: -72.604
Base-Backbone interact. energy: -0.638
local terms energy: -79.145261
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -189.410404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.410404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.410404 (E_RNA)
where:
Base-Base interactions energy: -113.311
where: short stacking energy: -57.773
Base-Backbone interact. energy: -0.115
local terms energy: -75.984756
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -17.614
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: 101
Temperature: 1.050000
Total energy: -178.942052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.942052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.942052 (E_RNA)
where:
Base-Base interactions energy: -106.772
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.320
local terms energy: -71.850783
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -147.035052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.035052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.035052 (E_RNA)
where:
Base-Base interactions energy: -85.546
where: short stacking energy: -43.429
Base-Backbone interact. energy: -0.256
local terms energy: -61.233351
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -154.156824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.156824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.156824 (E_RNA)
where:
Base-Base interactions energy: -86.372
where: short stacking energy: -37.315
Base-Backbone interact. energy: -0.018
local terms energy: -67.767206
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -14.444
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: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -103.345091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.345091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.345091 (E_RNA)
where:
Base-Base interactions energy: -45.102
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.207
local terms energy: -58.036073
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.517
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: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -91.703658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703658 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.124
local terms energy: -52.561254
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -3.813
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: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -87.237554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.237554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.237554 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.016
local terms energy: -56.790587
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -1.240
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: 101
Temperature: 1.350000
Total energy: -81.410188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.410188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.410188 (E_RNA)
where:
Base-Base interactions energy: -26.862
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.025
local terms energy: -54.523171
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -219.246549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.246549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.246549 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.033
local terms energy: -85.987160
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -227.903326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.903326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.903326 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -74.857
Base-Backbone interact. energy: -0.002
local terms energy: -83.172348
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -187.569290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.569290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.569290 (E_RNA)
where:
Base-Base interactions energy: -113.872
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.160
local terms energy: -73.537596
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -176.803526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.803526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.803526 (E_RNA)
where:
Base-Base interactions energy: -102.891
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.108
local terms energy: -73.804631
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -168.948004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.948004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.948004 (E_RNA)
where:
Base-Base interactions energy: -101.374
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.075
local terms energy: -67.498570
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -139.350476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.350476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.350476 (E_RNA)
where:
Base-Base interactions energy: -79.957
where: short stacking energy: -47.720
Base-Backbone interact. energy: -0.331
local terms energy: -59.062483
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -154.631314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.631314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.631314 (E_RNA)
where:
Base-Base interactions energy: -86.979
where: short stacking energy: -40.355
Base-Backbone interact. energy: -0.954
local terms energy: -66.698040
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -83.325422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325422 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -32.370
Base-Backbone interact. energy: -0.398
local terms energy: -50.241675
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -6.675
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: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -98.634458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.634458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.634458 (E_RNA)
where:
Base-Base interactions energy: -39.732
where: short stacking energy: -39.504
Base-Backbone interact. energy: 1.759
local terms energy: -60.661734
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -8.182
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: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -82.440144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.440144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.440144 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.072
local terms energy: -46.441598
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -8.629
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -214.468783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.468783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.468783 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -79.004
Base-Backbone interact. energy: -0.016
local terms energy: -86.265400
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -186.471400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.471400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.471400 (E_RNA)
where:
Base-Base interactions energy: -118.486
where: short stacking energy: -68.385
Base-Backbone interact. energy: -0.077
local terms energy: -67.908499
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -191.743063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.743063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.743063 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -57.367
Base-Backbone interact. energy: 0.268
local terms energy: -70.693101
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -170.851994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.851994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.851994 (E_RNA)
where:
Base-Base interactions energy: -100.302
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.019
local terms energy: -70.530867
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -158.893620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.893620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.893620 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -52.189
Base-Backbone interact. energy: -0.241
local terms energy: -62.848410
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -13.554
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: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -156.861549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.861549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.861549 (E_RNA)
where:
Base-Base interactions energy: -93.023
where: short stacking energy: -43.086
Base-Backbone interact. energy: -0.399
local terms energy: -63.440056
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.123
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: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -146.171504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.171504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.171504 (E_RNA)
where:
Base-Base interactions energy: -92.685
where: short stacking energy: -39.678
Base-Backbone interact. energy: -0.515
local terms energy: -52.971029
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -113.399540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.399540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.399540 (E_RNA)
where:
Base-Base interactions energy: -64.700
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.119
local terms energy: -48.581381
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -85.363823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.363823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.363823 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.039
local terms energy: -47.392795
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -79.708366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.708366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.708366 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -28.137
Base-Backbone interact. energy: -0.093
local terms energy: -47.881563
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -6.722
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -223.815619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.815619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.815619 (E_RNA)
where:
Base-Base interactions energy: -133.932
where: short stacking energy: -86.021
Base-Backbone interact. energy: -1.984
local terms energy: -87.899012
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -24.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -200.806415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.806415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.806415 (E_RNA)
where:
Base-Base interactions energy: -122.245
where: short stacking energy: -69.889
Base-Backbone interact. energy: -0.069
local terms energy: -78.492533
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -188.405080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.405080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.405080 (E_RNA)
where:
Base-Base interactions energy: -111.648
where: short stacking energy: -59.315
Base-Backbone interact. energy: -0.551
local terms energy: -76.205796
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -17.645
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: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -187.977941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.977941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.977941 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.226
local terms energy: -66.495324
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -156.271535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.271535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.271535 (E_RNA)
where:
Base-Base interactions energy: -88.045
where: short stacking energy: -46.997
Base-Backbone interact. energy: -0.127
local terms energy: -68.099079
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -144.029963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.029963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.029963 (E_RNA)
where:
Base-Base interactions energy: -82.785
where: short stacking energy: -43.649
Base-Backbone interact. energy: -0.124
local terms energy: -61.121509
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -119.883792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.883792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.883792 (E_RNA)
where:
Base-Base interactions energy: -65.760
where: short stacking energy: -32.863
Base-Backbone interact. energy: 1.245
local terms energy: -55.368476
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -137.602928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.602928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.602928 (E_RNA)
where:
Base-Base interactions energy: -79.782
where: short stacking energy: -38.015
Base-Backbone interact. energy: 0.546
local terms energy: -58.366984
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -81.732621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.732621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.732621 (E_RNA)
where:
Base-Base interactions energy: -26.053
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.123
local terms energy: -55.555770
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -85.929574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.929574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.929574 (E_RNA)
where:
Base-Base interactions energy: -36.523
where: short stacking energy: -28.411
Base-Backbone interact. energy: 1.233
local terms energy: -50.639271
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -5.320
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -226.279536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.279536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.279536 (E_RNA)
where:
Base-Base interactions energy: -140.744
where: short stacking energy: -82.405
Base-Backbone interact. energy: 0.071
local terms energy: -85.606562
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -22.635
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: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -184.657688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.657688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.657688 (E_RNA)
where:
Base-Base interactions energy: -105.197
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.894
local terms energy: -78.566583
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -192.853553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.853553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.853553 (E_RNA)
where:
Base-Base interactions energy: -113.936
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.195
local terms energy: -78.722813
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -202.793799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.793799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.793799 (E_RNA)
where:
Base-Base interactions energy: -127.953
where: short stacking energy: -82.235
Base-Backbone interact. energy: -0.126
local terms energy: -74.715507
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -152.083128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.083128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.083128 (E_RNA)
where:
Base-Base interactions energy: -86.511
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.005
local terms energy: -65.566606
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -11.765
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: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -124.671568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.671568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.671568 (E_RNA)
where:
Base-Base interactions energy: -61.106
where: short stacking energy: -37.919
Base-Backbone interact. energy: 0.096
local terms energy: -63.661639
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -7.587
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: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -136.535313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.535313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.535313 (E_RNA)
where:
Base-Base interactions energy: -76.121
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.210
local terms energy: -60.204302
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -8.065
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: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -121.121659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.121659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.121659 (E_RNA)
where:
Base-Base interactions energy: -67.964
where: short stacking energy: -42.109
Base-Backbone interact. energy: -0.125
local terms energy: -53.032834
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -89.488650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.488650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.488650 (E_RNA)
where:
Base-Base interactions energy: -35.936
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.096
local terms energy: -53.455879
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -10.447
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: 105
Temperature: 1.350000
Total energy: -77.653353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.653353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.653353 (E_RNA)
where:
Base-Base interactions energy: -20.895
where: short stacking energy: -20.895
Base-Backbone interact. energy: 0.587
local terms energy: -57.345438
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -221.740863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.740863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.740863 (E_RNA)
where:
Base-Base interactions energy: -136.815
where: short stacking energy: -82.158
Base-Backbone interact. energy: -0.012
local terms energy: -84.914778
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -186.249968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.249968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.249968 (E_RNA)
where:
Base-Base interactions energy: -109.347
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.385
local terms energy: -76.518022
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -195.633179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.633179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.633179 (E_RNA)
where:
Base-Base interactions energy: -127.397
where: short stacking energy: -58.914
Base-Backbone interact. energy: -0.097
local terms energy: -68.138830
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -184.193499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193499 (E_RNA)
where:
Base-Base interactions energy: -115.570
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.640
local terms energy: -67.983447
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -135.431778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.431778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.431778 (E_RNA)
where:
Base-Base interactions energy: -76.881
where: short stacking energy: -39.190
Base-Backbone interact. energy: -0.051
local terms energy: -58.499642
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -4.434
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: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -153.478017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.478017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.478017 (E_RNA)
where:
Base-Base interactions energy: -92.962
where: short stacking energy: -50.795
Base-Backbone interact. energy: 0.245
local terms energy: -60.760744
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.095
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: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -129.348778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.348778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.348778 (E_RNA)
where:
Base-Base interactions energy: -74.627
where: short stacking energy: -41.229
Base-Backbone interact. energy: -0.142
local terms energy: -54.579411
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -8.665
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: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -133.048563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.048563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.048563 (E_RNA)
where:
Base-Base interactions energy: -61.424
where: short stacking energy: -36.082
Base-Backbone interact. energy: -0.452
local terms energy: -71.172630
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -95.905812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.905812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.905812 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -32.854
Base-Backbone interact. energy: 0.238
local terms energy: -63.290515
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -82.598974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.598974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.598974 (E_RNA)
where:
Base-Base interactions energy: -26.087
where: short stacking energy: -26.087
Base-Backbone interact. energy: 0.113
local terms energy: -56.625312
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -209.559303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.559303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.559303 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -74.294
Base-Backbone interact. energy: -0.026
local terms energy: -81.530694
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -21.896
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -211.207084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.207084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.207084 (E_RNA)
where:
Base-Base interactions energy: -130.879
where: short stacking energy: -77.016
Base-Backbone interact. energy: -0.029
local terms energy: -80.298793
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -179.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.513649 (E_RNA)
where:
Base-Base interactions energy: -109.281
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.056
local terms energy: -70.176498
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -195.453558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.453558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.453558 (E_RNA)
where:
Base-Base interactions energy: -114.484
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.132
local terms energy: -80.837213
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -127.415952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.415952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.415952 (E_RNA)
where:
Base-Base interactions energy: -68.669
where: short stacking energy: -42.125
Base-Backbone interact. energy: -0.202
local terms energy: -58.544852
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -7.742
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: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -172.583146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.583146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.583146 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.134
local terms energy: -63.203672
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -107.726633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.726633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.726633 (E_RNA)
where:
Base-Base interactions energy: -60.115
where: short stacking energy: -32.215
Base-Backbone interact. energy: 1.385
local terms energy: -48.996712
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -139.326740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.326740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.326740 (E_RNA)
where:
Base-Base interactions energy: -83.095
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.190
local terms energy: -56.041511
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -3.957
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: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -81.985293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.985293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.985293 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.143
local terms energy: -49.584398
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.486
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: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -80.470906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.470906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.470906 (E_RNA)
where:
Base-Base interactions energy: -24.325
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.023
local terms energy: -56.122524
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -211.083116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.083116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.083116 (E_RNA)
where:
Base-Base interactions energy: -133.844
where: short stacking energy: -80.169
Base-Backbone interact. energy: -0.001
local terms energy: -77.237961
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -190.377673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.377673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.377673 (E_RNA)
where:
Base-Base interactions energy: -121.142
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.002
local terms energy: -69.233767
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -194.633339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.633339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.633339 (E_RNA)
where:
Base-Base interactions energy: -129.510
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.016
local terms energy: -65.107002
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -164.895253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.895253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.895253 (E_RNA)
where:
Base-Base interactions energy: -96.852
where: short stacking energy: -47.049
Base-Backbone interact. energy: -0.120
local terms energy: -67.923387
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -11.491
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: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -168.953370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.953370 (E_RNA)
where:
Base-Base interactions energy: -100.823
where: short stacking energy: -56.664
Base-Backbone interact. energy: 0.199
local terms energy: -68.329827
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -115.557215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.557215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.557215 (E_RNA)
where:
Base-Base interactions energy: -62.905
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.157
local terms energy: -52.495021
where:
bonds (distance) C4'-P energy: -7.060
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -125.035503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.035503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.035503 (E_RNA)
where:
Base-Base interactions energy: -73.477
where: short stacking energy: -29.460
Base-Backbone interact. energy: -0.214
local terms energy: -51.344645
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -88.104172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104172 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -30.424
Base-Backbone interact. energy: -0.255
local terms energy: -55.033737
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -7.921
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -84.028056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.028056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.028056 (E_RNA)
where:
Base-Base interactions energy: -32.880
where: short stacking energy: -32.880
Base-Backbone interact. energy: -0.071
local terms energy: -51.076952
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -7.032
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: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -95.540002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.540002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.540002 (E_RNA)
where:
Base-Base interactions energy: -42.841
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.198
local terms energy: -52.500927
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -216.763837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.763837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763837 (E_RNA)
where:
Base-Base interactions energy: -130.140
where: short stacking energy: -77.624
Base-Backbone interact. energy: -1.784
local terms energy: -84.839890
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -22.503
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: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -199.469761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.469761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469761 (E_RNA)
where:
Base-Base interactions energy: -115.653
where: short stacking energy: -68.064
Base-Backbone interact. energy: -0.069
local terms energy: -83.747955
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -175.839079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.839079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.839079 (E_RNA)
where:
Base-Base interactions energy: -109.144
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.196
local terms energy: -66.499496
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -174.700290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.700290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.700290 (E_RNA)
where:
Base-Base interactions energy: -105.864
where: short stacking energy: -64.272
Base-Backbone interact. energy: -1.348
local terms energy: -67.488267
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -167.543553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.543553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.543553 (E_RNA)
where:
Base-Base interactions energy: -97.155
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.007
local terms energy: -70.382389
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -13.866
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: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -169.047837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.047837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.047837 (E_RNA)
where:
Base-Base interactions energy: -95.417
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.267
local terms energy: -73.363764
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -95.468614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.468614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.468614 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -37.242
Base-Backbone interact. energy: -0.300
local terms energy: -57.926111
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -89.239336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239336 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.138
local terms energy: -48.037490
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -80.228067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.228067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.228067 (E_RNA)
where:
Base-Base interactions energy: -22.706
where: short stacking energy: -14.429
Base-Backbone interact. energy: 0.184
local terms energy: -57.706184
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -83.086500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.086500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.086500 (E_RNA)
where:
Base-Base interactions energy: -31.110
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.249
local terms energy: -51.727104
where:
bonds (distance) C4'-P energy: -6.293
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -7.916
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -226.642723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.642723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.642723 (E_RNA)
where:
Base-Base interactions energy: -145.009
where: short stacking energy: -85.849
Base-Backbone interact. energy: -0.002
local terms energy: -81.631884
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -201.212216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.212216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.212216 (E_RNA)
where:
Base-Base interactions energy: -120.711
where: short stacking energy: -72.834
Base-Backbone interact. energy: 0.272
local terms energy: -80.773464
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -184.194057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.194057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.194057 (E_RNA)
where:
Base-Base interactions energy: -115.903
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.209
local terms energy: -68.081524
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -188.183244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.183244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.183244 (E_RNA)
where:
Base-Base interactions energy: -116.682
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.351
local terms energy: -71.150011
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -158.787650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.787650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.787650 (E_RNA)
where:
Base-Base interactions energy: -90.933
where: short stacking energy: -52.439
Base-Backbone interact. energy: -0.096
local terms energy: -67.758616
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -146.887640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.887640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.887640 (E_RNA)
where:
Base-Base interactions energy: -88.238
where: short stacking energy: -50.346
Base-Backbone interact. energy: -0.260
local terms energy: -58.390238
where:
bonds (distance) C4'-P energy: -8.126
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -98.980956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.980956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.980956 (E_RNA)
where:
Base-Base interactions energy: -39.910
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.015
local terms energy: -59.056660
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -89.976790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.976790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.976790 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.109
local terms energy: -61.189359
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -75.362803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.362803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.362803 (E_RNA)
where:
Base-Base interactions energy: -21.714
where: short stacking energy: -21.714
Base-Backbone interact. energy: -0.388
local terms energy: -53.261352
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -1.744
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: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -76.025488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.025488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.025488 (E_RNA)
where:
Base-Base interactions energy: -27.618
where: short stacking energy: -17.568
Base-Backbone interact. energy: -0.362
local terms energy: -48.045557
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -8.819
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -215.083129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.083129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.083129 (E_RNA)
where:
Base-Base interactions energy: -134.506
where: short stacking energy: -83.281
Base-Backbone interact. energy: -0.029
local terms energy: -80.547611
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -204.733121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.733121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.733121 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -65.790
Base-Backbone interact. energy: 0.669
local terms energy: -79.246898
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -186.803713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.803713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.803713 (E_RNA)
where:
Base-Base interactions energy: -120.060
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.048
local terms energy: -66.695729
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -11.991
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: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -195.864747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.864747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.864747 (E_RNA)
where:
Base-Base interactions energy: -121.203
where: short stacking energy: -70.612
Base-Backbone interact. energy: -0.014
local terms energy: -74.647904
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -139.933266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.933266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.933266 (E_RNA)
where:
Base-Base interactions energy: -79.248
where: short stacking energy: -52.518
Base-Backbone interact. energy: -0.357
local terms energy: -60.328232
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -98.987171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.987171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.987171 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -41.835
Base-Backbone interact. energy: -0.029
local terms energy: -57.123347
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -139.448147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.448147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.448147 (E_RNA)
where:
Base-Base interactions energy: -76.244
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.008
local terms energy: -63.195821
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -91.455151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.455151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.455151 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -41.387
Base-Backbone interact. energy: -0.204
local terms energy: -45.112103
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -2.417
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: 111
Temperature: 1.300000
Total energy: -114.347444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.347444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.347444 (E_RNA)
where:
Base-Base interactions energy: -55.038
where: short stacking energy: -25.164
Base-Backbone interact. energy: -0.102
local terms energy: -59.207472
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.449
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: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -84.840549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840549 (E_RNA)
where:
Base-Base interactions energy: -30.741
where: short stacking energy: -19.211
Base-Backbone interact. energy: -0.155
local terms energy: -53.944724
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -197.838545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.838545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.838545 (E_RNA)
where:
Base-Base interactions energy: -122.587
where: short stacking energy: -70.971
Base-Backbone interact. energy: -0.077
local terms energy: -75.174098
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -214.190091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.190091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.190091 (E_RNA)
where:
Base-Base interactions energy: -129.163
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.655
local terms energy: -84.372543
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -210.825510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.825510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.825510 (E_RNA)
where:
Base-Base interactions energy: -129.069
where: short stacking energy: -76.209
Base-Backbone interact. energy: -0.004
local terms energy: -81.752580
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -21.605
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: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -190.573861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.573861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.573861 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -62.669
Base-Backbone interact. energy: 0.962
local terms energy: -73.424589
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -17.347
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: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -156.604547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.604547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.604547 (E_RNA)
where:
Base-Base interactions energy: -89.410
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.094
local terms energy: -67.099868
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -106.076834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.076834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.076834 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.056
local terms energy: -65.277751
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.246
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: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -127.133165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.133165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.133165 (E_RNA)
where:
Base-Base interactions energy: -66.435
where: short stacking energy: -36.859
Base-Backbone interact. energy: 0.987
local terms energy: -61.684944
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -81.964388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.964388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.964388 (E_RNA)
where:
Base-Base interactions energy: -34.333
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.105
local terms energy: -47.526905
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -111.677234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.677234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.677234 (E_RNA)
where:
Base-Base interactions energy: -50.593
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.103
local terms energy: -60.980852
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -81.011820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011820 (E_RNA)
where:
Base-Base interactions energy: -23.065
where: short stacking energy: -23.065
Base-Backbone interact. energy: -1.362
local terms energy: -56.584347
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -2.048
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: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -209.058616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058616 (E_RNA)
where:
Base-Base interactions energy: -132.322
where: short stacking energy: -78.269
Base-Backbone interact. energy: -0.002
local terms energy: -76.735192
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -21.469
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: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -213.278712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.278712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.278712 (E_RNA)
where:
Base-Base interactions energy: -131.924
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.014
local terms energy: -81.340149
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -198.756895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.756895 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.076
local terms energy: -77.993532
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -204.603470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.603470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.603470 (E_RNA)
where:
Base-Base interactions energy: -126.064
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.005
local terms energy: -78.534862
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -181.398225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.398225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.398225 (E_RNA)
where:
Base-Base interactions energy: -110.424
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.028
local terms energy: -70.946209
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -145.316152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.316152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.316152 (E_RNA)
where:
Base-Base interactions energy: -89.511
where: short stacking energy: -50.750
Base-Backbone interact. energy: -0.230
local terms energy: -55.575055
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -4.920
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: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -112.371616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.371616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.371616 (E_RNA)
where:
Base-Base interactions energy: -51.630
where: short stacking energy: -42.882
Base-Backbone interact. energy: -1.737
local terms energy: -59.004529
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -107.086265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.086265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.086265 (E_RNA)
where:
Base-Base interactions energy: -44.460
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.096
local terms energy: -62.530250
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -92.194562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.194562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.194562 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.155
local terms energy: -54.470102
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -6.064
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: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -110.293468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.293468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.293468 (E_RNA)
where:
Base-Base interactions energy: -63.980
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.850
local terms energy: -45.462952
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -5.921
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.657
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: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -217.924533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.924533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.924533 (E_RNA)
where:
Base-Base interactions energy: -139.385
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.030
local terms energy: -78.510023
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -191.699879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.699879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.699879 (E_RNA)
where:
Base-Base interactions energy: -113.751
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.000
local terms energy: -77.948893
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.631
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: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -211.026953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026953 (E_RNA)
where:
Base-Base interactions energy: -131.108
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.003
local terms energy: -79.915601
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -21.628
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -184.635929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.635929 (E_RNA)
where:
Base-Base interactions energy: -111.476
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.124
local terms energy: -73.036678
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -12.669
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -167.275817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.275817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.275817 (E_RNA)
where:
Base-Base interactions energy: -100.884
where: short stacking energy: -49.801
Base-Backbone interact. energy: 0.003
local terms energy: -66.394558
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -9.643
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: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -156.764712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.764712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.764712 (E_RNA)
where:
Base-Base interactions energy: -93.677
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.241
local terms energy: -62.846573
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -12.198
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: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -108.570291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.570291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.570291 (E_RNA)
where:
Base-Base interactions energy: -51.521
where: short stacking energy: -51.521
Base-Backbone interact. energy: -0.211
local terms energy: -56.837374
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -95.422205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.422205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.422205 (E_RNA)
where:
Base-Base interactions energy: -53.117
where: short stacking energy: -27.285
Base-Backbone interact. energy: -0.120
local terms energy: -42.185802
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -92.797725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797725 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -33.897
Base-Backbone interact. energy: -0.332
local terms energy: -57.951351
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -8.500
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: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -79.989744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.989744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.989744 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -29.406
Base-Backbone interact. energy: 0.313
local terms energy: -48.494715
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -229.054129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.054129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.054129 (E_RNA)
where:
Base-Base interactions energy: -140.185
where: short stacking energy: -83.540
Base-Backbone interact. energy: -0.069
local terms energy: -88.800263
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -184.658457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.658457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.658457 (E_RNA)
where:
Base-Base interactions energy: -118.172
where: short stacking energy: -56.285
Base-Backbone interact. energy: -0.198
local terms energy: -66.288555
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -12.971
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: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -187.741704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.741704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.741704 (E_RNA)
where:
Base-Base interactions energy: -113.494
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.564
local terms energy: -73.683626
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -209.396290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.396290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.396290 (E_RNA)
where:
Base-Base interactions energy: -135.587
where: short stacking energy: -77.721
Base-Backbone interact. energy: -0.008
local terms energy: -73.800975
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -160.488802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.488802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.488802 (E_RNA)
where:
Base-Base interactions energy: -93.491
where: short stacking energy: -55.248
Base-Backbone interact. energy: -0.123
local terms energy: -66.874120
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -11.193
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: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -185.034827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.034827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.034827 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.007
local terms energy: -72.355577
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -100.753819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.753819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.753819 (E_RNA)
where:
Base-Base interactions energy: -36.508
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.237
local terms energy: -64.008516
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.440
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: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -90.689869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689869 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.493
local terms energy: -54.734840
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -114.262178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.262178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.262178 (E_RNA)
where:
Base-Base interactions energy: -53.180
where: short stacking energy: -39.171
Base-Backbone interact. energy: -0.036
local terms energy: -61.046534
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -13.556
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: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -81.011784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011784 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -26.292
Base-Backbone interact. energy: -0.199
local terms energy: -43.707427
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -220.960360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.960360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.960360 (E_RNA)
where:
Base-Base interactions energy: -139.200
where: short stacking energy: -78.653
Base-Backbone interact. energy: -0.050
local terms energy: -81.710538
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -196.589938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.589938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.589938 (E_RNA)
where:
Base-Base interactions energy: -122.077
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.236
local terms energy: -74.277052
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -198.647187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.647187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647187 (E_RNA)
where:
Base-Base interactions energy: -128.650
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.067
local terms energy: -69.930248
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -180.741872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.741872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.741872 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.094
local terms energy: -69.735986
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -174.780031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.780031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.780031 (E_RNA)
where:
Base-Base interactions energy: -108.031
where: short stacking energy: -57.763
Base-Backbone interact. energy: 0.408
local terms energy: -67.157495
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -158.317607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.317607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.317607 (E_RNA)
where:
Base-Base interactions energy: -90.530
where: short stacking energy: -47.602
Base-Backbone interact. energy: -0.469
local terms energy: -67.319120
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -91.913639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913639 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -35.677
Base-Backbone interact. energy: 0.246
local terms energy: -56.482680
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.845017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.845017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.845017 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.084
local terms energy: -57.021343
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -8.071
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: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -82.306471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.306471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.306471 (E_RNA)
where:
Base-Base interactions energy: -39.994
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.156
local terms energy: -42.156981
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -89.867630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867630 (E_RNA)
where:
Base-Base interactions energy: -44.587
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.141
local terms energy: -45.139312
where:
bonds (distance) C4'-P energy: -7.262
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -221.836660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.836660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.836660 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.003
local terms energy: -83.907405
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -204.024654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.024654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.024654 (E_RNA)
where:
Base-Base interactions energy: -127.146
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.003
local terms energy: -76.876098
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -185.723644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.723644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.723644 (E_RNA)
where:
Base-Base interactions energy: -112.600
where: short stacking energy: -66.630
Base-Backbone interact. energy: -0.123
local terms energy: -73.000389
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -168.662214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.662214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.662214 (E_RNA)
where:
Base-Base interactions energy: -102.000
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.180
local terms energy: -66.482279
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -174.341706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.341706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.341706 (E_RNA)
where:
Base-Base interactions energy: -103.812
where: short stacking energy: -57.435
Base-Backbone interact. energy: -0.008
local terms energy: -70.520871
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -155.782132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.782132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.782132 (E_RNA)
where:
Base-Base interactions energy: -90.122
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.044
local terms energy: -65.615826
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -97.764046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.764046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.764046 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.280
local terms energy: -54.223999
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -13.494
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -102.267758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.267758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.267758 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.220
local terms energy: -60.580916
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -7.479
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: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -109.320604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.320604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.320604 (E_RNA)
where:
Base-Base interactions energy: -64.299
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.101
local terms energy: -44.921096
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -7.429
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -84.662530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.662530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.662530 (E_RNA)
where:
Base-Base interactions energy: -28.571
where: short stacking energy: -28.571
Base-Backbone interact. energy: -0.234
local terms energy: -55.857431
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -6.624
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: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -219.951543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.951543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.951543 (E_RNA)
where:
Base-Base interactions energy: -134.982
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.007
local terms energy: -84.962813
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -212.178623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.178623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.178623 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -76.946
Base-Backbone interact. energy: -1.261
local terms energy: -81.590906
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -178.113959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.113959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.113959 (E_RNA)
where:
Base-Base interactions energy: -104.130
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.145
local terms energy: -73.839037
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -178.470050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.470050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.470050 (E_RNA)
where:
Base-Base interactions energy: -110.018
where: short stacking energy: -55.915
Base-Backbone interact. energy: 0.458
local terms energy: -68.910631
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -149.853140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.853140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.853140 (E_RNA)
where:
Base-Base interactions energy: -91.496
where: short stacking energy: -51.146
Base-Backbone interact. energy: -0.507
local terms energy: -57.849926
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -7.182
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -138.070016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.070016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.070016 (E_RNA)
where:
Base-Base interactions energy: -79.276
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.027
local terms energy: -58.767066
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -97.642297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.642297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.642297 (E_RNA)
where:
Base-Base interactions energy: -40.831
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.015
local terms energy: -56.796604
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -6.617
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: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -95.914117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.914117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.914117 (E_RNA)
where:
Base-Base interactions energy: -35.635
where: short stacking energy: -24.817
Base-Backbone interact. energy: -0.613
local terms energy: -59.666120
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -86.386219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386219 (E_RNA)
where:
Base-Base interactions energy: -25.857
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.098
local terms energy: -60.431052
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -104.743761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.743761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.743761 (E_RNA)
where:
Base-Base interactions energy: -49.062
where: short stacking energy: -25.079
Base-Backbone interact. energy: -0.432
local terms energy: -55.249815
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -214.088190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.088190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.088190 (E_RNA)
where:
Base-Base interactions energy: -135.700
where: short stacking energy: -76.491
Base-Backbone interact. energy: 0.314
local terms energy: -78.701885
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -209.069285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.069285 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -73.595
Base-Backbone interact. energy: -0.021
local terms energy: -83.673019
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -191.439385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.439385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.439385 (E_RNA)
where:
Base-Base interactions energy: -114.869
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.135
local terms energy: -76.434734
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -153.779635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.779635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.779635 (E_RNA)
where:
Base-Base interactions energy: -90.344
where: short stacking energy: -47.657
Base-Backbone interact. energy: -0.061
local terms energy: -63.374058
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -7.206
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: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -175.814495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.814495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.814495 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -60.736
Base-Backbone interact. energy: -0.103
local terms energy: -66.669374
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -11.513
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: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -142.712428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.712428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.712428 (E_RNA)
where:
Base-Base interactions energy: -83.620
where: short stacking energy: -33.684
Base-Backbone interact. energy: -0.123
local terms energy: -58.969172
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -126.033948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.033948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.033948 (E_RNA)
where:
Base-Base interactions energy: -70.606
where: short stacking energy: -38.689
Base-Backbone interact. energy: -0.321
local terms energy: -55.107118
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -91.208894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208894 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -45.740
Base-Backbone interact. energy: -0.157
local terms energy: -45.311940
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -5.269
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: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -99.586806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586806 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.136
local terms energy: -66.766822
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -80.581241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.581241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.581241 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -21.773
Base-Backbone interact. energy: 0.690
local terms energy: -48.576976
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -211.196157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.196157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196157 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -76.879
Base-Backbone interact. energy: -0.632
local terms energy: -83.513950
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.005
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: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -205.432454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.432454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.432454 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.058
local terms energy: -77.204216
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -178.845036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.845036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.845036 (E_RNA)
where:
Base-Base interactions energy: -99.791
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.014
local terms energy: -79.040352
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -179.616537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.616537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.616537 (E_RNA)
where:
Base-Base interactions energy: -110.029
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.078
local terms energy: -69.509621
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -170.165508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.165508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.165508 (E_RNA)
where:
Base-Base interactions energy: -110.073
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.103
local terms energy: -59.989018
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -155.789907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.789907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.789907 (E_RNA)
where:
Base-Base interactions energy: -92.293
where: short stacking energy: -49.641
Base-Backbone interact. energy: 0.522
local terms energy: -64.019272
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -141.413540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.413540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.413540 (E_RNA)
where:
Base-Base interactions energy: -82.389
where: short stacking energy: -40.614
Base-Backbone interact. energy: -0.399
local terms energy: -58.626135
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.961
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: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -86.801019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.801019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.801019 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -30.764
Base-Backbone interact. energy: -0.300
local terms energy: -52.541763
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -92.358936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358936 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -29.189
Base-Backbone interact. energy: -0.407
local terms energy: -58.471682
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.554
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: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -78.698028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.698028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.698028 (E_RNA)
where:
Base-Base interactions energy: -32.713
where: short stacking energy: -19.907
Base-Backbone interact. energy: -0.685
local terms energy: -45.300436
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -210.445950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.445950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.445950 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.086
local terms energy: -86.089302
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -197.414581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.414581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.414581 (E_RNA)
where:
Base-Base interactions energy: -115.211
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.015
local terms energy: -82.188771
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -200.298219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.298219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.298219 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.139
local terms energy: -80.072600
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -182.555196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.555196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.555196 (E_RNA)
where:
Base-Base interactions energy: -106.928
where: short stacking energy: -53.161
Base-Backbone interact. energy: -0.097
local terms energy: -75.529621
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -167.383330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.383330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.383330 (E_RNA)
where:
Base-Base interactions energy: -99.211
where: short stacking energy: -54.191
Base-Backbone interact. energy: -1.041
local terms energy: -67.131595
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -140.727061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.727061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.727061 (E_RNA)
where:
Base-Base interactions energy: -82.668
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.231
local terms energy: -57.828075
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.134
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: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -138.774646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.774646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.774646 (E_RNA)
where:
Base-Base interactions energy: -80.619
where: short stacking energy: -41.350
Base-Backbone interact. energy: -1.071
local terms energy: -57.085401
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -6.987
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: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -95.765548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.765548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.765548 (E_RNA)
where:
Base-Base interactions energy: -43.247
where: short stacking energy: -40.107
Base-Backbone interact. energy: -0.002
local terms energy: -52.516172
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -84.168981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168981 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.089
local terms energy: -53.115994
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -6.670
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: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -84.691072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.691072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.691072 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.359
local terms energy: -48.361210
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -193.281207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.281207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.281207 (E_RNA)
where:
Base-Base interactions energy: -112.064
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.676
local terms energy: -80.541475
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -207.184166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.184166 (E_RNA)
where:
Base-Base interactions energy: -124.299
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.037
local terms energy: -82.848096
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -203.306512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.306512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.306512 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -67.197
Base-Backbone interact. energy: -0.303
local terms energy: -80.347788
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -21.356
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: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -174.011915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.011915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.011915 (E_RNA)
where:
Base-Base interactions energy: -111.368
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.188
local terms energy: -62.455755
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -167.317717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.317717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.317717 (E_RNA)
where:
Base-Base interactions energy: -99.104
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.035
local terms energy: -68.179527
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.908
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -141.971275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.971275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.971275 (E_RNA)
where:
Base-Base interactions energy: -81.989
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.077
local terms energy: -59.905038
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -136.300494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.300494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.300494 (E_RNA)
where:
Base-Base interactions energy: -79.988
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.347
local terms energy: -55.965510
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.165
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: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -83.652657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652657 (E_RNA)
where:
Base-Base interactions energy: -28.780
where: short stacking energy: -21.993
Base-Backbone interact. energy: -1.070
local terms energy: -53.802049
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -88.450616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450616 (E_RNA)
where:
Base-Base interactions energy: -33.284
where: short stacking energy: -33.684
Base-Backbone interact. energy: -0.125
local terms energy: -55.041411
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: 0.114
tors. eta vs tors. theta energy: -5.719
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: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -91.609779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.609779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.609779 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.214
local terms energy: -63.135597
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -8.232
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -188.637664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.637664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.637664 (E_RNA)
where:
Base-Base interactions energy: -111.797
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.010
local terms energy: -76.830742
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -212.975780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.975780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.975780 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -77.215
Base-Backbone interact. energy: -0.006
local terms energy: -80.825750
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -204.914555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.914555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.914555 (E_RNA)
where:
Base-Base interactions energy: -132.886
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.100
local terms energy: -71.928234
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -183.336460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.336460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.336460 (E_RNA)
where:
Base-Base interactions energy: -110.510
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.074
local terms energy: -72.752636
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -164.203671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.203671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.203671 (E_RNA)
where:
Base-Base interactions energy: -95.349
where: short stacking energy: -50.650
Base-Backbone interact. energy: -0.224
local terms energy: -68.630271
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -151.083467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.083467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.083467 (E_RNA)
where:
Base-Base interactions energy: -79.929
where: short stacking energy: -41.708
Base-Backbone interact. energy: -0.122
local terms energy: -71.032885
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -150.692525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.692525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.692525 (E_RNA)
where:
Base-Base interactions energy: -88.570
where: short stacking energy: -44.039
Base-Backbone interact. energy: -0.209
local terms energy: -61.913518
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -8.852
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: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -93.727770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.727770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.727770 (E_RNA)
where:
Base-Base interactions energy: -41.811
where: short stacking energy: -31.306
Base-Backbone interact. energy: 1.288
local terms energy: -53.204284
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -84.565070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.565070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.565070 (E_RNA)
where:
Base-Base interactions energy: -33.141
where: short stacking energy: -33.141
Base-Backbone interact. energy: -0.236
local terms energy: -51.188008
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -85.406717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406717 (E_RNA)
where:
Base-Base interactions energy: -31.415
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.014
local terms energy: -53.977644
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -5.927
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: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -205.008212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.008212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.008212 (E_RNA)
where:
Base-Base interactions energy: -124.672
where: short stacking energy: -75.061
Base-Backbone interact. energy: -0.002
local terms energy: -80.334906
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -173.890456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.890456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.890456 (E_RNA)
where:
Base-Base interactions energy: -104.575
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.036
local terms energy: -69.279883
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -15.063
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -191.283473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.283473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.283473 (E_RNA)
where:
Base-Base interactions energy: -121.158
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.006
local terms energy: -70.119936
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -181.038236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.038236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.038236 (E_RNA)
where:
Base-Base interactions energy: -104.440
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.032
local terms energy: -76.565930
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.369
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: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -165.384025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.384025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.384025 (E_RNA)
where:
Base-Base interactions energy: -93.836
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.032
local terms energy: -71.515522
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -145.438030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.438030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.438030 (E_RNA)
where:
Base-Base interactions energy: -88.827
where: short stacking energy: -43.035
Base-Backbone interact. energy: 1.581
local terms energy: -58.191866
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.297
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: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -141.221953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.221953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.221953 (E_RNA)
where:
Base-Base interactions energy: -76.764
where: short stacking energy: -48.117
Base-Backbone interact. energy: -0.025
local terms energy: -64.433306
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -88.730434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.730434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.730434 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -28.323
Base-Backbone interact. energy: 1.770
local terms energy: -51.448762
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -99.364906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.364906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.364906 (E_RNA)
where:
Base-Base interactions energy: -51.543
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.403
local terms energy: -47.419013
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -75.260778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.260778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.260778 (E_RNA)
where:
Base-Base interactions energy: -20.972
where: short stacking energy: -20.972
Base-Backbone interact. energy: 0.170
local terms energy: -54.458971
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -1.859
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: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -216.583918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.583918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.583918 (E_RNA)
where:
Base-Base interactions energy: -138.744
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.149
local terms energy: -77.690896
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -208.789587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.789587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.789587 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -78.896
Base-Backbone interact. energy: 0.081
local terms energy: -76.123413
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -173.712498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.712498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.712498 (E_RNA)
where:
Base-Base interactions energy: -105.380
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.096
local terms energy: -68.237201
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -178.698377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.698377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.698377 (E_RNA)
where:
Base-Base interactions energy: -115.084
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.067
local terms energy: -63.547070
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -177.725551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.725551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.725551 (E_RNA)
where:
Base-Base interactions energy: -105.820
where: short stacking energy: -54.712
Base-Backbone interact. energy: -0.112
local terms energy: -71.794244
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.047
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: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -153.412659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.412659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.412659 (E_RNA)
where:
Base-Base interactions energy: -92.151
where: short stacking energy: -44.866
Base-Backbone interact. energy: -0.081
local terms energy: -61.180806
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -8.844
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: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -148.749544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.749544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.749544 (E_RNA)
where:
Base-Base interactions energy: -81.680
where: short stacking energy: -40.724
Base-Backbone interact. energy: -0.044
local terms energy: -67.025573
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -9.005
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: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -90.234177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234177 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -36.262
Base-Backbone interact. energy: -0.257
local terms energy: -53.068738
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -1.432
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: 9, replica: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -84.173558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.173558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.173558 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.099
local terms energy: -46.319768
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -7.227
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -79.047328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.047328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.047328 (E_RNA)
where:
Base-Base interactions energy: -23.357
where: short stacking energy: -20.746
Base-Backbone interact. energy: 1.996
local terms energy: -57.685526
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -223.748981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.748981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.748981 (E_RNA)
where:
Base-Base interactions energy: -134.030
where: short stacking energy: -80.068
Base-Backbone interact. energy: -0.021
local terms energy: -89.698257
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -24.035
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: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -224.096286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.096286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.096286 (E_RNA)
where:
Base-Base interactions energy: -136.932
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.012
local terms energy: -87.152822
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -182.085408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.085408 (E_RNA)
where:
Base-Base interactions energy: -101.239
where: short stacking energy: -54.294
Base-Backbone interact. energy: -1.000
local terms energy: -79.846828
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -166.525772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.525772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.525772 (E_RNA)
where:
Base-Base interactions energy: -100.703
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.115
local terms energy: -65.707671
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -9.794
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: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -173.590484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.590484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.590484 (E_RNA)
where:
Base-Base interactions energy: -101.484
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.047
local terms energy: -72.059582
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -13.425
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: 126
Temperature: 1.150000
Total energy: -161.601015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.601015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.601015 (E_RNA)
where:
Base-Base interactions energy: -90.946
where: short stacking energy: -55.040
Base-Backbone interact. energy: -0.008
local terms energy: -70.647323
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -156.437603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.437603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.437603 (E_RNA)
where:
Base-Base interactions energy: -87.586
where: short stacking energy: -51.077
Base-Backbone interact. energy: -0.089
local terms energy: -68.761687
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -130.180488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.180488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.180488 (E_RNA)
where:
Base-Base interactions energy: -70.087
where: short stacking energy: -39.443
Base-Backbone interact. energy: 0.482
local terms energy: -60.575857
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.567
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: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -90.902883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.902883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.902883 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.100
local terms energy: -57.882665
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -84.159023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.159023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.159023 (E_RNA)
where:
Base-Base interactions energy: -28.231
where: short stacking energy: -28.078
Base-Backbone interact. energy: -0.207
local terms energy: -55.721124
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -11.163
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: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -220.158414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.158414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.158414 (E_RNA)
where:
Base-Base interactions energy: -134.469
where: short stacking energy: -80.215
Base-Backbone interact. energy: -0.001
local terms energy: -85.688232
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -212.034397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.034397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.034397 (E_RNA)
where:
Base-Base interactions energy: -141.460
where: short stacking energy: -80.249
Base-Backbone interact. energy: -0.005
local terms energy: -70.569811
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -24.886
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: 127
Temperature: 1.000000
Total energy: -181.249486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.249486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.249486 (E_RNA)
where:
Base-Base interactions energy: -108.324
where: short stacking energy: -61.806
Base-Backbone interact. energy: -0.092
local terms energy: -72.833224
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -13.977
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: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -185.312166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.312166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.312166 (E_RNA)
where:
Base-Base interactions energy: -114.870
where: short stacking energy: -60.439
Base-Backbone interact. energy: -0.019
local terms energy: -70.422306
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -168.870288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.870288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.870288 (E_RNA)
where:
Base-Base interactions energy: -102.936
where: short stacking energy: -61.747
Base-Backbone interact. energy: -0.138
local terms energy: -65.796962
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -5.272
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: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -174.148914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.148914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.148914 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.496
local terms energy: -70.609157
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -17.780
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: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -158.672733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.672733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.672733 (E_RNA)
where:
Base-Base interactions energy: -93.030
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.784
local terms energy: -64.858407
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -85.007932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.007932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.007932 (E_RNA)
where:
Base-Base interactions energy: -30.261
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.167
local terms energy: -54.579583
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.642
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: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -100.223941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223941 (E_RNA)
where:
Base-Base interactions energy: -52.983
where: short stacking energy: -27.619
Base-Backbone interact. energy: -0.305
local terms energy: -46.936345
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -80.195094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.195094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.195094 (E_RNA)
where:
Base-Base interactions energy: -26.526
where: short stacking energy: -26.068
Base-Backbone interact. energy: -0.070
local terms energy: -53.599748
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -210.043848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043848 (E_RNA)
where:
Base-Base interactions energy: -129.267
where: short stacking energy: -79.068
Base-Backbone interact. energy: 0.177
local terms energy: -80.953713
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -20.346
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: 128
Temperature: 0.950000
Total energy: -193.058001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.058001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.058001 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.010
local terms energy: -72.492011
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -190.433847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.433847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.433847 (E_RNA)
where:
Base-Base interactions energy: -113.404
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.001
local terms energy: -77.029122
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -170.112013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.112013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.112013 (E_RNA)
where:
Base-Base interactions energy: -107.683
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.908
local terms energy: -61.521320
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -167.763919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.763919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.763919 (E_RNA)
where:
Base-Base interactions energy: -99.033
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.092
local terms energy: -68.639272
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -165.685052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.685052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.685052 (E_RNA)
where:
Base-Base interactions energy: -92.466
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.217
local terms energy: -73.002547
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -12.791
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: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -113.284169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.284169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.284169 (E_RNA)
where:
Base-Base interactions energy: -51.086
where: short stacking energy: -51.086
Base-Backbone interact. energy: -0.081
local terms energy: -62.117428
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -8.058
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: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -152.197613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.197613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.197613 (E_RNA)
where:
Base-Base interactions energy: -89.439
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.004
local terms energy: -62.754555
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -85.135646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.135646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.135646 (E_RNA)
where:
Base-Base interactions energy: -26.720
where: short stacking energy: -26.720
Base-Backbone interact. energy: -0.361
local terms energy: -58.054361
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.882890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.882890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.882890 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.128
local terms energy: -47.091157
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -4.344
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: 2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -211.025442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.025442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.025442 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.059
local terms energy: -80.194795
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -222.480013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.480013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.480013 (E_RNA)
where:
Base-Base interactions energy: -139.112
where: short stacking energy: -82.108
Base-Backbone interact. energy: -0.002
local terms energy: -83.366414
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -192.128376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.128376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.128376 (E_RNA)
where:
Base-Base interactions energy: -113.435
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.077
local terms energy: -78.615692
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -169.514358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.514358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.514358 (E_RNA)
where:
Base-Base interactions energy: -99.117
where: short stacking energy: -62.114
Base-Backbone interact. energy: 0.423
local terms energy: -70.821175
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -170.895649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.895649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.895649 (E_RNA)
where:
Base-Base interactions energy: -102.707
where: short stacking energy: -54.318
Base-Backbone interact. energy: -0.092
local terms energy: -68.096254
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -13.812
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: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -158.483568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.483568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.483568 (E_RNA)
where:
Base-Base interactions energy: -93.228
where: short stacking energy: -46.506
Base-Backbone interact. energy: -0.245
local terms energy: -65.010910
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -11.067
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -105.339993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.339993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.339993 (E_RNA)
where:
Base-Base interactions energy: -50.696
where: short stacking energy: -46.416
Base-Backbone interact. energy: 2.521
local terms energy: -57.164913
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -2.123
tors. eta vs tors. theta energy: -14.031
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: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -90.104140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104140 (E_RNA)
where:
Base-Base interactions energy: -30.365
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.123
local terms energy: -59.617093
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -133.546737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.546737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.546737 (E_RNA)
where:
Base-Base interactions energy: -81.093
where: short stacking energy: -43.036
Base-Backbone interact. energy: -0.442
local terms energy: -52.011892
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -4.797
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: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -109.812760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.812760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.812760 (E_RNA)
where:
Base-Base interactions energy: -55.476
where: short stacking energy: -29.128
Base-Backbone interact. energy: -0.129
local terms energy: -54.207879
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -9.361
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: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -211.620722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.620722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.620722 (E_RNA)
where:
Base-Base interactions energy: -135.500
where: short stacking energy: -74.714
Base-Backbone interact. energy: -0.033
local terms energy: -76.088238
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -213.184356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.184356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.184356 (E_RNA)
where:
Base-Base interactions energy: -131.766
where: short stacking energy: -73.409
Base-Backbone interact. energy: -0.004
local terms energy: -81.414079
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -185.351357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.351357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.351357 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -67.336
Base-Backbone interact. energy: -0.072
local terms energy: -76.984487
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -19.616
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: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -181.330916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.330916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.330916 (E_RNA)
where:
Base-Base interactions energy: -111.959
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.120
local terms energy: -69.252193
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -156.432004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.432004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.432004 (E_RNA)
where:
Base-Base interactions energy: -89.157
where: short stacking energy: -47.900
Base-Backbone interact. energy: -0.867
local terms energy: -66.407693
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -11.466
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: 130
Temperature: 1.150000
Total energy: -152.622390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.622390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.622390 (E_RNA)
where:
Base-Base interactions energy: -91.006
where: short stacking energy: -44.653
Base-Backbone interact. energy: -0.219
local terms energy: -61.396656
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -122.586650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.586650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.586650 (E_RNA)
where:
Base-Base interactions energy: -60.151
where: short stacking energy: -37.792
Base-Backbone interact. energy: 0.334
local terms energy: -62.769115
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -8.891
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -146.406633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.406633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.406633 (E_RNA)
where:
Base-Base interactions energy: -80.589
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.017
local terms energy: -65.800973
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -114.321993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.321993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.321993 (E_RNA)
where:
Base-Base interactions energy: -57.535
where: short stacking energy: -34.890
Base-Backbone interact. energy: -0.007
local terms energy: -56.779783
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -6.916
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: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -117.001464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.001464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.001464 (E_RNA)
where:
Base-Base interactions energy: -73.883
where: short stacking energy: -36.934
Base-Backbone interact. energy: -0.337
local terms energy: -42.781393
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -3.696
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: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -212.517542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.517542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.517542 (E_RNA)
where:
Base-Base interactions energy: -133.732
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.180
local terms energy: -78.606163
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -21.624
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: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -209.641582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.641582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.641582 (E_RNA)
where:
Base-Base interactions energy: -129.238
where: short stacking energy: -76.361
Base-Backbone interact. energy: 0.190
local terms energy: -80.593743
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -20.609
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: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -179.941899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.941899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941899 (E_RNA)
where:
Base-Base interactions energy: -115.280
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.500
local terms energy: -64.161215
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -181.539793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.539793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.539793 (E_RNA)
where:
Base-Base interactions energy: -112.364
where: short stacking energy: -56.426
Base-Backbone interact. energy: -0.666
local terms energy: -68.510013
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -160.052812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.052812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.052812 (E_RNA)
where:
Base-Base interactions energy: -95.073
where: short stacking energy: -48.532
Base-Backbone interact. energy: -0.587
local terms energy: -64.392237
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -145.366127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.366127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.366127 (E_RNA)
where:
Base-Base interactions energy: -85.820
where: short stacking energy: -52.796
Base-Backbone interact. energy: 0.039
local terms energy: -59.585112
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -129.891565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.891565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.891565 (E_RNA)
where:
Base-Base interactions energy: -69.028
where: short stacking energy: -37.826
Base-Backbone interact. energy: -0.108
local terms energy: -60.755506
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -95.877435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.877435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.877435 (E_RNA)
where:
Base-Base interactions energy: -49.199
where: short stacking energy: -28.036
Base-Backbone interact. energy: -0.086
local terms energy: -46.592182
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -86.206993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.206993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.206993 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.594
local terms energy: -46.959107
where:
bonds (distance) C4'-P energy: -5.991
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -7.703
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: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -79.452046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.452046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.452046 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -27.876
Base-Backbone interact. energy: -0.228
local terms energy: -49.414221
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -225.381997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.381997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.381997 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -84.719
Base-Backbone interact. energy: -1.417
local terms energy: -82.533001
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -213.116422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116422 (E_RNA)
where:
Base-Base interactions energy: -130.188
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.243
local terms energy: -82.685369
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -192.231401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.231401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.231401 (E_RNA)
where:
Base-Base interactions energy: -118.037
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.061
local terms energy: -74.133212
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -174.736056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.736056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.736056 (E_RNA)
where:
Base-Base interactions energy: -104.352
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.395
local terms energy: -69.988101
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -11.406
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: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -136.858420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.858420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.858420 (E_RNA)
where:
Base-Base interactions energy: -75.137
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.188
local terms energy: -61.533455
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -12.944
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: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -159.285411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.285411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.285411 (E_RNA)
where:
Base-Base interactions energy: -85.010
where: short stacking energy: -38.884
Base-Backbone interact. energy: -0.071
local terms energy: -74.204096
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -12.848
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: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -128.372838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.372838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.372838 (E_RNA)
where:
Base-Base interactions energy: -74.131
where: short stacking energy: -49.909
Base-Backbone interact. energy: -0.032
local terms energy: -54.210313
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -0.782
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -96.121617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.121617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.121617 (E_RNA)
where:
Base-Base interactions energy: -38.587
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.244
local terms energy: -57.290520
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -96.489794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.489794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.489794 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -41.073
Base-Backbone interact. energy: -0.003
local terms energy: -55.413338
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -77.637356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.637356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.637356 (E_RNA)
where:
Base-Base interactions energy: -25.124
where: short stacking energy: -25.124
Base-Backbone interact. energy: -0.141
local terms energy: -52.371947
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -2.277
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -221.394967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.394967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.394967 (E_RNA)
where:
Base-Base interactions energy: -140.413
where: short stacking energy: -82.174
Base-Backbone interact. energy: -0.410
local terms energy: -80.571256
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -205.504809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.504809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.504809 (E_RNA)
where:
Base-Base interactions energy: -122.396
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.897
local terms energy: -82.211321
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -197.377367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.377367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.377367 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.225
local terms energy: -78.051541
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -170.173364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.173364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.173364 (E_RNA)
where:
Base-Base interactions energy: -104.958
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.035
local terms energy: -65.180288
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -140.110422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.110422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.110422 (E_RNA)
where:
Base-Base interactions energy: -80.653
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.009
local terms energy: -59.448854
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -153.284372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.284372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.284372 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -49.654
Base-Backbone interact. energy: -0.247
local terms energy: -60.930867
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -14.326
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: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -141.937900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.937900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.937900 (E_RNA)
where:
Base-Base interactions energy: -79.322
where: short stacking energy: -37.531
Base-Backbone interact. energy: -0.114
local terms energy: -62.502289
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -88.737998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.737998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.737998 (E_RNA)
where:
Base-Base interactions energy: -28.849
where: short stacking energy: -26.071
Base-Backbone interact. energy: -0.147
local terms energy: -59.741921
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -88.664809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.664809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.664809 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -31.511
Base-Backbone interact. energy: 0.800
local terms energy: -53.930086
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -78.238330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.238330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.238330 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -21.421
Base-Backbone interact. energy: -0.081
local terms energy: -49.531385
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: 2.050
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: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -220.739634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.739634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.739634 (E_RNA)
where:
Base-Base interactions energy: -138.622
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.132
local terms energy: -81.985483
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -209.878684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.878684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.878684 (E_RNA)
where:
Base-Base interactions energy: -132.942
where: short stacking energy: -77.036
Base-Backbone interact. energy: 1.334
local terms energy: -78.271187
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -179.718711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.718711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.718711 (E_RNA)
where:
Base-Base interactions energy: -107.225
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.121
local terms energy: -72.372962
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -15.856
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: 134
Temperature: 1.050000
Total energy: -146.164115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.164115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.164115 (E_RNA)
where:
Base-Base interactions energy: -90.358
where: short stacking energy: -54.804
Base-Backbone interact. energy: -0.109
local terms energy: -55.696686
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -160.679199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.679199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.679199 (E_RNA)
where:
Base-Base interactions energy: -98.750
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.158
local terms energy: -61.770467
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -142.562017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.562017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.562017 (E_RNA)
where:
Base-Base interactions energy: -77.756
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.070
local terms energy: -64.735906
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -143.894376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.894376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.894376 (E_RNA)
where:
Base-Base interactions energy: -82.007
where: short stacking energy: -41.867
Base-Backbone interact. energy: -0.161
local terms energy: -61.726250
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.417
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: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -81.474265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.474265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.474265 (E_RNA)
where:
Base-Base interactions energy: -26.019
where: short stacking energy: -24.468
Base-Backbone interact. energy: -0.145
local terms energy: -55.309864
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -89.041145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.041145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.041145 (E_RNA)
where:
Base-Base interactions energy: -35.478
where: short stacking energy: -36.210
Base-Backbone interact. energy: -0.106
local terms energy: -53.456782
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.954015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.954015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.954015 (E_RNA)
where:
Base-Base interactions energy: -27.475
where: short stacking energy: -23.797
Base-Backbone interact. energy: -0.007
local terms energy: -54.472548
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -7.986
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: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -219.906504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.906504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.906504 (E_RNA)
where:
Base-Base interactions energy: -137.146
where: short stacking energy: -74.775
Base-Backbone interact. energy: -0.006
local terms energy: -82.753899
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -212.694312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.694312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.694312 (E_RNA)
where:
Base-Base interactions energy: -133.402
where: short stacking energy: -76.646
Base-Backbone interact. energy: -2.281
local terms energy: -77.011253
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -22.880
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: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -190.364931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.364931 (E_RNA)
where:
Base-Base interactions energy: -122.382
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.001
local terms energy: -67.981610
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -170.881939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.881939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.881939 (E_RNA)
where:
Base-Base interactions energy: -101.657
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.088
local terms energy: -69.136564
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -156.444582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.444582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.444582 (E_RNA)
where:
Base-Base interactions energy: -84.822
where: short stacking energy: -47.317
Base-Backbone interact. energy: -0.040
local terms energy: -71.582499
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -148.944798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.944798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.944798 (E_RNA)
where:
Base-Base interactions energy: -88.100
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.088
local terms energy: -60.756087
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.090
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: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -145.827815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.827815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.827815 (E_RNA)
where:
Base-Base interactions energy: -80.501
where: short stacking energy: -38.834
Base-Backbone interact. energy: -0.486
local terms energy: -64.840583
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -10.971
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -86.900818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.900818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.900818 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -34.217
Base-Backbone interact. energy: -0.103
local terms energy: -52.581113
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -3.473
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: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -90.408918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.408918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.408918 (E_RNA)
where:
Base-Base interactions energy: -41.470
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.252
local terms energy: -48.686863
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -9.074
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: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -82.193346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.193346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.193346 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -28.458
Base-Backbone interact. energy: 0.024
local terms energy: -51.618909
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -3.607
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: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -224.990666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.990666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.990666 (E_RNA)
where:
Base-Base interactions energy: -143.867
where: short stacking energy: -82.865
Base-Backbone interact. energy: -0.015
local terms energy: -81.108068
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -209.585954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.585954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.585954 (E_RNA)
where:
Base-Base interactions energy: -126.740
where: short stacking energy: -73.110
Base-Backbone interact. energy: -0.005
local terms energy: -82.841485
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -18.997
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: 136
Temperature: 1.000000
Total energy: -203.340041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.340041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.340041 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.017
local terms energy: -78.735582
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -149.683520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.683520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.683520 (E_RNA)
where:
Base-Base interactions energy: -85.874
where: short stacking energy: -52.530
Base-Backbone interact. energy: -0.741
local terms energy: -63.068663
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -11.312
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -158.141883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.141883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.141883 (E_RNA)
where:
Base-Base interactions energy: -91.309
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.236
local terms energy: -66.596222
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -7.825
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: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -174.065625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.065625 (E_RNA)
where:
Base-Base interactions energy: -101.214
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.620
local terms energy: -72.231118
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -143.553353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.553353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.553353 (E_RNA)
where:
Base-Base interactions energy: -85.018
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.107
local terms energy: -58.428155
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -7.910
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: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -83.157971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.157971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.157971 (E_RNA)
where:
Base-Base interactions energy: -27.433
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.054
local terms energy: -55.670941
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: 0.516
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: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -86.512102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.512102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.512102 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.330
local terms energy: -58.108819
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -81.617403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.617403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.617403 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -27.028
Base-Backbone interact. energy: -0.528
local terms energy: -49.287930
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -222.955448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.955448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.955448 (E_RNA)
where:
Base-Base interactions energy: -137.857
where: short stacking energy: -79.121
Base-Backbone interact. energy: -0.001
local terms energy: -85.097602
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -203.058023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.058023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.058023 (E_RNA)
where:
Base-Base interactions energy: -126.171
where: short stacking energy: -69.347
Base-Backbone interact. energy: 0.185
local terms energy: -77.071749
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -209.371464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.371464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.371464 (E_RNA)
where:
Base-Base interactions energy: -123.407
where: short stacking energy: -73.788
Base-Backbone interact. energy: 0.161
local terms energy: -86.125351
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -24.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -148.221381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.221381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.221381 (E_RNA)
where:
Base-Base interactions energy: -79.009
where: short stacking energy: -44.268
Base-Backbone interact. energy: -0.048
local terms energy: -69.164479
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -148.421493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.421493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.421493 (E_RNA)
where:
Base-Base interactions energy: -91.092
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.080
local terms energy: -57.248976
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.164
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: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -144.938478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.938478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.938478 (E_RNA)
where:
Base-Base interactions energy: -81.773
where: short stacking energy: -47.887
Base-Backbone interact. energy: -0.197
local terms energy: -62.967822
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.787
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: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -152.298756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.298756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.298756 (E_RNA)
where:
Base-Base interactions energy: -88.132
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.071
local terms energy: -64.095645
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -11.638
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: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -97.550219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.550219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.550219 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -30.617
Base-Backbone interact. energy: -0.208
local terms energy: -49.218275
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: 1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -85.654578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654578 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -38.426
Base-Backbone interact. energy: 0.251
local terms energy: -47.479708
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -84.694222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.694222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.694222 (E_RNA)
where:
Base-Base interactions energy: -32.814
where: short stacking energy: -27.310
Base-Backbone interact. energy: -0.770
local terms energy: -51.109685
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -228.495201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.495201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.495201 (E_RNA)
where:
Base-Base interactions energy: -145.699
where: short stacking energy: -83.434
Base-Backbone interact. energy: -0.002
local terms energy: -82.794967
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -202.886766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.886766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.886766 (E_RNA)
where:
Base-Base interactions energy: -131.111
where: short stacking energy: -72.348
Base-Backbone interact. energy: -0.094
local terms energy: -71.681847
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -215.134201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134201 (E_RNA)
where:
Base-Base interactions energy: -134.172
where: short stacking energy: -77.066
Base-Backbone interact. energy: -0.134
local terms energy: -80.828161
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -173.635418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.635418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.635418 (E_RNA)
where:
Base-Base interactions energy: -103.421
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.572
local terms energy: -69.642569
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -163.195100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.195100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.195100 (E_RNA)
where:
Base-Base interactions energy: -92.534
where: short stacking energy: -59.776
Base-Backbone interact. energy: -0.129
local terms energy: -70.532602
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -12.991
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: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -149.659784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.659784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.659784 (E_RNA)
where:
Base-Base interactions energy: -79.975
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.138
local terms energy: -69.547074
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -101.889935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.889935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.889935 (E_RNA)
where:
Base-Base interactions energy: -46.974
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.054
local terms energy: -54.862183
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -134.879203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.879203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.879203 (E_RNA)
where:
Base-Base interactions energy: -76.189
where: short stacking energy: -38.639
Base-Backbone interact. energy: -0.183
local terms energy: -58.506692
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -96.688181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.688181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.688181 (E_RNA)
where:
Base-Base interactions energy: -38.755
where: short stacking energy: -32.626
Base-Backbone interact. energy: -0.160
local terms energy: -57.773578
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -89.954348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.954348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.954348 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.147
local terms energy: -54.395859
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -220.674102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674102 (E_RNA)
where:
Base-Base interactions energy: -134.381
where: short stacking energy: -72.418
Base-Backbone interact. energy: 0.918
local terms energy: -87.211229
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -22.922
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: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -213.716075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.716075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.716075 (E_RNA)
where:
Base-Base interactions energy: -130.005
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.004
local terms energy: -83.707629
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -23.636
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: 139
Temperature: 1.000000
Total energy: -201.558753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.558753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.558753 (E_RNA)
where:
Base-Base interactions energy: -125.927
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.126
local terms energy: -75.506150
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -19.666
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: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -168.390759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390759 (E_RNA)
where:
Base-Base interactions energy: -100.114
where: short stacking energy: -53.080
Base-Backbone interact. energy: -0.116
local terms energy: -68.160662
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -16.242
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: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -186.103883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.103883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.103883 (E_RNA)
where:
Base-Base interactions energy: -112.899
where: short stacking energy: -60.255
Base-Backbone interact. energy: -0.092
local terms energy: -73.113085
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -106.047500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.047500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.047500 (E_RNA)
where:
Base-Base interactions energy: -49.776
where: short stacking energy: -49.776
Base-Backbone interact. energy: -0.305
local terms energy: -55.967170
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -7.174
flat angles P-C4'-P energy: -6.412
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: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -116.054885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.054885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.054885 (E_RNA)
where:
Base-Base interactions energy: -60.227
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.193
local terms energy: -55.635351
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -148.190496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.190496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.190496 (E_RNA)
where:
Base-Base interactions energy: -87.827
where: short stacking energy: -49.252
Base-Backbone interact. energy: 0.107
local terms energy: -60.470653
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -6.923
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: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -79.047211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.047211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.047211 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -30.041
Base-Backbone interact. energy: -0.146
local terms energy: -48.381551
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: 1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -90.174437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.174437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.174437 (E_RNA)
where:
Base-Base interactions energy: -57.878
where: short stacking energy: -30.055
Base-Backbone interact. energy: -0.289
local terms energy: -32.007243
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -7.685
flat angles C4'-P-C4' energy: -6.978
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -217.378903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.378903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.378903 (E_RNA)
where:
Base-Base interactions energy: -135.221
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.027
local terms energy: -82.130471
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -214.464860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464860 (E_RNA)
where:
Base-Base interactions energy: -128.569
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.144
local terms energy: -85.752712
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -163.524540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.524540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.524540 (E_RNA)
where:
Base-Base interactions energy: -97.201
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.596
local terms energy: -65.727899
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -185.467611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.467611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.467611 (E_RNA)
where:
Base-Base interactions energy: -112.392
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.042
local terms energy: -73.033304
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -154.703225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.703225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.703225 (E_RNA)
where:
Base-Base interactions energy: -92.496
where: short stacking energy: -43.795
Base-Backbone interact. energy: -0.086
local terms energy: -62.121886
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -10.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -129.184872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.184872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.184872 (E_RNA)
where:
Base-Base interactions energy: -57.910
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.383
local terms energy: -70.891524
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -143.735224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.735224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.735224 (E_RNA)
where:
Base-Base interactions energy: -80.347
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.013
local terms energy: -63.375233
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -84.506935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506935 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -28.087
Base-Backbone interact. energy: -0.102
local terms energy: -44.943286
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -0.710
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: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -85.738942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.738942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.738942 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.002
local terms energy: -53.486349
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.406
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: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -79.543123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.543123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.543123 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.223
local terms energy: -50.979055
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -1.494
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -217.176374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.176374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.176374 (E_RNA)
where:
Base-Base interactions energy: -136.152
where: short stacking energy: -79.225
Base-Backbone interact. energy: -0.005
local terms energy: -81.019512
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -219.387484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.387484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.387484 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -79.055
Base-Backbone interact. energy: -0.155
local terms energy: -86.091515
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -172.292214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.292214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.292214 (E_RNA)
where:
Base-Base interactions energy: -100.633
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.036
local terms energy: -71.623201
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -11.887
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: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -185.410669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.410669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.410669 (E_RNA)
where:
Base-Base interactions energy: -114.141
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.008
local terms energy: -71.261566
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -166.746737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.746737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.746737 (E_RNA)
where:
Base-Base interactions energy: -101.183
where: short stacking energy: -53.292
Base-Backbone interact. energy: -0.889
local terms energy: -64.674361
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -8.862
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: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -163.839404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.839404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.839404 (E_RNA)
where:
Base-Base interactions energy: -98.906
where: short stacking energy: -48.948
Base-Backbone interact. energy: -0.192
local terms energy: -64.741440
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -7.489
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -98.948708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.948708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.948708 (E_RNA)
where:
Base-Base interactions energy: -43.439
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.762
local terms energy: -54.748099
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -11.251
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: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -82.102878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.102878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.102878 (E_RNA)
where:
Base-Base interactions energy: -37.120
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.222
local terms energy: -44.760853
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -114.337245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.337245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.337245 (E_RNA)
where:
Base-Base interactions energy: -61.074
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.073
local terms energy: -53.189434
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -79.543577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.543577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.543577 (E_RNA)
where:
Base-Base interactions energy: -27.562
where: short stacking energy: -27.562
Base-Backbone interact. energy: -0.318
local terms energy: -51.663557
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -13.066
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -224.214958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.214958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.214958 (E_RNA)
where:
Base-Base interactions energy: -135.899
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.016
local terms energy: -88.300541
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -22.934
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: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -210.092686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.092686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.092686 (E_RNA)
where:
Base-Base interactions energy: -127.467
where: short stacking energy: -71.470
Base-Backbone interact. energy: -0.014
local terms energy: -82.611999
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -19.533
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: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -187.344066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.344066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.344066 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -63.190
Base-Backbone interact. energy: 0.351
local terms energy: -63.409465
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -157.259498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.259498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.259498 (E_RNA)
where:
Base-Base interactions energy: -90.213
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.049
local terms energy: -66.998003
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.446
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: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -163.304997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.304997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.304997 (E_RNA)
where:
Base-Base interactions energy: -105.094
where: short stacking energy: -55.115
Base-Backbone interact. energy: 1.078
local terms energy: -59.289279
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -14.663
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: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -143.749017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.749017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.749017 (E_RNA)
where:
Base-Base interactions energy: -85.158
where: short stacking energy: -41.462
Base-Backbone interact. energy: -0.125
local terms energy: -58.465740
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.214
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: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -108.319537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.319537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.319537 (E_RNA)
where:
Base-Base interactions energy: -45.847
where: short stacking energy: -45.847
Base-Backbone interact. energy: -0.056
local terms energy: -62.416622
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -120.547477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.547477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.547477 (E_RNA)
where:
Base-Base interactions energy: -54.396
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.022
local terms energy: -66.130163
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -6.722
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: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -103.144718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.144718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.144718 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -23.996
Base-Backbone interact. energy: -0.245
local terms energy: -54.064350
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -102.930956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.930956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.930956 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -38.878
Base-Backbone interact. energy: -0.085
local terms energy: -59.585658
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -10.198
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -215.085335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.085335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.085335 (E_RNA)
where:
Base-Base interactions energy: -128.854
where: short stacking energy: -71.777
Base-Backbone interact. energy: -0.031
local terms energy: -86.200351
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -202.424606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.424606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.424606 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.035
local terms energy: -78.656193
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -181.305190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.305190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.305190 (E_RNA)
where:
Base-Base interactions energy: -109.374
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.051
local terms energy: -71.880219
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -9.404
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: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -177.317093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.317093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.317093 (E_RNA)
where:
Base-Base interactions energy: -108.119
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.738
local terms energy: -68.459280
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -14.700
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: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -151.052453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.052453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.052453 (E_RNA)
where:
Base-Base interactions energy: -88.339
where: short stacking energy: -43.097
Base-Backbone interact. energy: -0.001
local terms energy: -62.711586
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -7.851
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: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -97.319796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319796 (E_RNA)
where:
Base-Base interactions energy: -36.160
where: short stacking energy: -36.160
Base-Backbone interact. energy: -0.055
local terms energy: -61.104953
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -9.034
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: 143
Temperature: 1.200000
Total energy: -138.977850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.977850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.977850 (E_RNA)
where:
Base-Base interactions energy: -75.594
where: short stacking energy: -46.297
Base-Backbone interact. energy: -0.275
local terms energy: -63.108855
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -6.622
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: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -90.967375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.967375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.967375 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.055
local terms energy: -62.449236
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -78.586478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.586478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.586478 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.272
local terms energy: -44.588985
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -92.292827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.292827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.292827 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -38.999
Base-Backbone interact. energy: -0.015
local terms energy: -53.679007
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -216.684116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.684116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.684116 (E_RNA)
where:
Base-Base interactions energy: -129.811
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.514
local terms energy: -86.359191
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -22.177
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: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -201.793952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793952 (E_RNA)
where:
Base-Base interactions energy: -130.058
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.025
local terms energy: -71.711096
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -19.448
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: 144
Temperature: 1.000000
Total energy: -168.235697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.235697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.235697 (E_RNA)
where:
Base-Base interactions energy: -100.334
where: short stacking energy: -50.539
Base-Backbone interact. energy: -0.078
local terms energy: -67.823556
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -13.042
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: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -187.577200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.577200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.577200 (E_RNA)
where:
Base-Base interactions energy: -111.318
where: short stacking energy: -64.463
Base-Backbone interact. energy: -0.186
local terms energy: -76.072360
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -157.598588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.598588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.598588 (E_RNA)
where:
Base-Base interactions energy: -88.036
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.115
local terms energy: -69.447187
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.343
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: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -131.846001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.846001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.846001 (E_RNA)
where:
Base-Base interactions energy: -72.741
where: short stacking energy: -40.501
Base-Backbone interact. energy: -0.269
local terms energy: -58.836017
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -150.066363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.066363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.066363 (E_RNA)
where:
Base-Base interactions energy: -89.567
where: short stacking energy: -49.875
Base-Backbone interact. energy: -0.089
local terms energy: -60.409924
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -92.152939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152939 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -36.882
Base-Backbone interact. energy: -0.061
local terms energy: -55.209820
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -7.319
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -100.067214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.067214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.067214 (E_RNA)
where:
Base-Base interactions energy: -45.833
where: short stacking energy: -45.833
Base-Backbone interact. energy: -0.098
local terms energy: -54.136734
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -9.305
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: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -78.999062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.999062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.999062 (E_RNA)
where:
Base-Base interactions energy: -21.259
where: short stacking energy: -21.259
Base-Backbone interact. energy: -0.044
local terms energy: -57.696766
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -4.294
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -218.470377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.470377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.470377 (E_RNA)
where:
Base-Base interactions energy: -133.369
where: short stacking energy: -74.510
Base-Backbone interact. energy: -0.039
local terms energy: -85.062629
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -22.000
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: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -205.247523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.247523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.247523 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -72.957
Base-Backbone interact. energy: -2.140
local terms energy: -81.784773
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -23.825
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -175.521436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.521436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.521436 (E_RNA)
where:
Base-Base interactions energy: -104.832
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.127
local terms energy: -70.562100
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -192.329640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.329640 (E_RNA)
where:
Base-Base interactions energy: -110.739
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.724
local terms energy: -80.866512
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -176.668889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.668889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.668889 (E_RNA)
where:
Base-Base interactions energy: -110.838
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.412
local terms energy: -65.418911
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -156.491271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.491271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.491271 (E_RNA)
where:
Base-Base interactions energy: -95.644
where: short stacking energy: -50.888
Base-Backbone interact. energy: 0.042
local terms energy: -60.889302
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -11.064
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: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -152.232132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.232132 (E_RNA)
where:
Base-Base interactions energy: -91.561
where: short stacking energy: -45.044
Base-Backbone interact. energy: 0.961
local terms energy: -61.632437
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -91.991773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.991773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.991773 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -24.863
Base-Backbone interact. energy: -0.251
local terms energy: -50.797349
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.758315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758315 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -34.911
Base-Backbone interact. energy: 0.084
local terms energy: -44.356948
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: 3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -71.040361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.040361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.040361 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.209
local terms energy: -40.052918
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -2.564
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -219.924148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924148 (E_RNA)
where:
Base-Base interactions energy: -137.205
where: short stacking energy: -79.205
Base-Backbone interact. energy: 1.864
local terms energy: -84.583785
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -215.553979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.553979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.553979 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.000
local terms energy: -82.270288
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -189.067003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.067003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.067003 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.239
local terms energy: -80.164963
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -161.092866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.092866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.092866 (E_RNA)
where:
Base-Base interactions energy: -98.575
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.008
local terms energy: -62.509534
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -8.403
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: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -189.854274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.854274 (E_RNA)
where:
Base-Base interactions energy: -116.301
where: short stacking energy: -67.561
Base-Backbone interact. energy: -0.457
local terms energy: -73.096496
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -147.806554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.806554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.806554 (E_RNA)
where:
Base-Base interactions energy: -102.215
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.111
local terms energy: -45.479577
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -3.141
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -11.926
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: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -140.297276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.297276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.297276 (E_RNA)
where:
Base-Base interactions energy: -84.447
where: short stacking energy: -42.561
Base-Backbone interact. energy: -0.973
local terms energy: -54.877664
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -6.738
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: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -101.017055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.017055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.017055 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -35.678
Base-Backbone interact. energy: -0.053
local terms energy: -65.286175
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -85.007510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.007510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.007510 (E_RNA)
where:
Base-Base interactions energy: -30.608
where: short stacking energy: -30.608
Base-Backbone interact. energy: 0.510
local terms energy: -54.909242
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -10.915
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: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -85.769419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.769419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.769419 (E_RNA)
where:
Base-Base interactions energy: -29.043
where: short stacking energy: -28.067
Base-Backbone interact. energy: -0.155
local terms energy: -56.571513
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -221.180176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.180176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.180176 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.007
local terms energy: -88.145290
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -194.625391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.625391 (E_RNA)
where:
Base-Base interactions energy: -116.556
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.004
local terms energy: -78.065720
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -203.491254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.491254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.491254 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -72.171
Base-Backbone interact. energy: -0.018
local terms energy: -78.863180
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -184.814827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.814827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.814827 (E_RNA)
where:
Base-Base interactions energy: -117.881
where: short stacking energy: -53.320
Base-Backbone interact. energy: -0.051
local terms energy: -66.883268
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -178.094425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.094425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.094425 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -53.084
Base-Backbone interact. energy: -0.048
local terms energy: -75.113510
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -143.160402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.160402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.160402 (E_RNA)
where:
Base-Base interactions energy: -79.539
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.440
local terms energy: -63.181226
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -7.383
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: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -150.528496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.528496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.528496 (E_RNA)
where:
Base-Base interactions energy: -100.047
where: short stacking energy: -58.258
Base-Backbone interact. energy: 0.180
local terms energy: -50.660518
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -9.430
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -103.130883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.130883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.130883 (E_RNA)
where:
Base-Base interactions energy: -41.129
where: short stacking energy: -41.129
Base-Backbone interact. energy: -0.367
local terms energy: -61.634921
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -12.598
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: 147
Temperature: 1.300000
Total energy: -89.126384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.126384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.126384 (E_RNA)
where:
Base-Base interactions energy: -35.923
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.028
local terms energy: -53.175303
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -74.723853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.723853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.723853 (E_RNA)
where:
Base-Base interactions energy: -31.221
where: short stacking energy: -29.477
Base-Backbone interact. energy: -0.168
local terms energy: -43.334424
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -215.402273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.402273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.402273 (E_RNA)
where:
Base-Base interactions energy: -125.478
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.002
local terms energy: -89.922212
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -197.053843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.053843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.053843 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -75.439
Base-Backbone interact. energy: -0.002
local terms energy: -77.836216
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -196.105675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105675 (E_RNA)
where:
Base-Base interactions energy: -126.077
where: short stacking energy: -66.863
Base-Backbone interact. energy: -0.024
local terms energy: -70.005497
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -198.713681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.713681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.713681 (E_RNA)
where:
Base-Base interactions energy: -121.824
where: short stacking energy: -72.437
Base-Backbone interact. energy: -0.057
local terms energy: -76.832654
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -180.871057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.871057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.871057 (E_RNA)
where:
Base-Base interactions energy: -114.248
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.233
local terms energy: -66.389586
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -151.276764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.276764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.276764 (E_RNA)
where:
Base-Base interactions energy: -93.504
where: short stacking energy: -48.960
Base-Backbone interact. energy: -0.424
local terms energy: -57.349279
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.187
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: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -155.463272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.463272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.463272 (E_RNA)
where:
Base-Base interactions energy: -90.597
where: short stacking energy: -42.318
Base-Backbone interact. energy: -0.162
local terms energy: -64.704947
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -103.475788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.475788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.475788 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -36.041
Base-Backbone interact. energy: -0.127
local terms energy: -60.860006
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -8.174
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -79.627573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.627573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.627573 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -26.919
Base-Backbone interact. energy: 0.074
local terms energy: -45.643061
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -9.168
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: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -84.854807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854807 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -30.739
Base-Backbone interact. energy: 0.547
local terms energy: -52.832404
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -6.548
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -226.637209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.637209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.637209 (E_RNA)
where:
Base-Base interactions energy: -135.033
where: short stacking energy: -80.720
Base-Backbone interact. energy: -2.089
local terms energy: -89.514898
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -197.724668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.724668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.724668 (E_RNA)
where:
Base-Base interactions energy: -125.794
where: short stacking energy: -70.438
Base-Backbone interact. energy: -0.150
local terms energy: -71.780305
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -185.546881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.546881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.546881 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.018
local terms energy: -75.109066
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -200.215828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.215828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.215828 (E_RNA)
where:
Base-Base interactions energy: -124.849
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.004
local terms energy: -75.362669
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -166.381384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.381384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.381384 (E_RNA)
where:
Base-Base interactions energy: -98.297
where: short stacking energy: -45.991
Base-Backbone interact. energy: -0.094
local terms energy: -67.990751
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.622
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: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -167.585009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.585009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.585009 (E_RNA)
where:
Base-Base interactions energy: -103.472
where: short stacking energy: -53.820
Base-Backbone interact. energy: -0.069
local terms energy: -64.044251
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -141.728532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.728532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.728532 (E_RNA)
where:
Base-Base interactions energy: -81.041
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.114
local terms energy: -60.573305
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -83.741304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.741304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.741304 (E_RNA)
where:
Base-Base interactions energy: -27.478
where: short stacking energy: -27.394
Base-Backbone interact. energy: 0.040
local terms energy: -56.302821
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.391149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.391149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.391149 (E_RNA)
where:
Base-Base interactions energy: -29.733
where: short stacking energy: -29.733
Base-Backbone interact. energy: 0.473
local terms energy: -59.130645
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -72.714324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.714324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.714324 (E_RNA)
where:
Base-Base interactions energy: -29.908
where: short stacking energy: -20.122
Base-Backbone interact. energy: 2.530
local terms energy: -45.336591
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: 0.288
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: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -207.921419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.921419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.921419 (E_RNA)
where:
Base-Base interactions energy: -126.353
where: short stacking energy: -68.952
Base-Backbone interact. energy: -0.054
local terms energy: -81.514476
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -200.973832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.973832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.973832 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -68.755
Base-Backbone interact. energy: -0.068
local terms energy: -80.268371
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -199.361060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.361060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.361060 (E_RNA)
where:
Base-Base interactions energy: -120.478
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.394
local terms energy: -78.488556
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -174.815435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.815435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.815435 (E_RNA)
where:
Base-Base interactions energy: -101.765
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.077
local terms energy: -72.973475
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -155.552503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.552503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.552503 (E_RNA)
where:
Base-Base interactions energy: -95.714
where: short stacking energy: -54.028
Base-Backbone interact. energy: 0.677
local terms energy: -60.514963
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -11.156
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: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -162.009337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.009337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.009337 (E_RNA)
where:
Base-Base interactions energy: -96.921
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.009
local terms energy: -65.079596
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -105.199485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.199485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.199485 (E_RNA)
where:
Base-Base interactions energy: -49.227
where: short stacking energy: -34.657
Base-Backbone interact. energy: -0.417
local terms energy: -55.555408
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -8.456
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: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -125.886087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.886087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.886087 (E_RNA)
where:
Base-Base interactions energy: -71.441
where: short stacking energy: -34.829
Base-Backbone interact. energy: -0.425
local terms energy: -54.020026
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -12.969
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: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -92.106999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.106999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.106999 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -35.976
Base-Backbone interact. energy: -0.181
local terms energy: -55.528455
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -9.556
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: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -87.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717072 (E_RNA)
where:
Base-Base interactions energy: -45.526
where: short stacking energy: -38.100
Base-Backbone interact. energy: 2.433
local terms energy: -44.624863
where:
bonds (distance) C4'-P energy: -6.210
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -218.832925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.832925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.832925 (E_RNA)
where:
Base-Base interactions energy: -139.167
where: short stacking energy: -79.990
Base-Backbone interact. energy: -0.001
local terms energy: -79.664507
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -205.240536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240536 (E_RNA)
where:
Base-Base interactions energy: -128.423
where: short stacking energy: -73.226
Base-Backbone interact. energy: -0.079
local terms energy: -76.738357
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -202.834745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.834745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.834745 (E_RNA)
where:
Base-Base interactions energy: -121.594
where: short stacking energy: -77.302
Base-Backbone interact. energy: -0.017
local terms energy: -81.223975
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -21.011
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: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -168.392021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.392021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.392021 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -54.287
Base-Backbone interact. energy: -0.019
local terms energy: -73.712319
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -164.485834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.485834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.485834 (E_RNA)
where:
Base-Base interactions energy: -99.418
where: short stacking energy: -49.892
Base-Backbone interact. energy: -0.220
local terms energy: -64.847387
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -156.450667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.450667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.450667 (E_RNA)
where:
Base-Base interactions energy: -89.082
where: short stacking energy: -46.650
Base-Backbone interact. energy: -0.094
local terms energy: -67.274523
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.293
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: 151
Temperature: 1.200000
Total energy: -96.069944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.069944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.069944 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.101
local terms energy: -59.412041
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -11.484
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: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -102.813293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.813293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.813293 (E_RNA)
where:
Base-Base interactions energy: -51.864
where: short stacking energy: -40.484
Base-Backbone interact. energy: -0.129
local terms energy: -50.819611
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -6.522
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: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -138.968044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.968044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.968044 (E_RNA)
where:
Base-Base interactions energy: -78.002
where: short stacking energy: -36.196
Base-Backbone interact. energy: 1.818
local terms energy: -62.783607
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -84.194217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194217 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.136
local terms energy: -50.877563
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -203.988836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.988836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.988836 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -73.363
Base-Backbone interact. energy: -0.079
local terms energy: -76.258371
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -21.181
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: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -216.886146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886146 (E_RNA)
where:
Base-Base interactions energy: -130.775
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.004
local terms energy: -86.106945
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -22.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -191.441359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.441359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.441359 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.197
local terms energy: -72.939516
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -172.732101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.732101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.732101 (E_RNA)
where:
Base-Base interactions energy: -111.040
where: short stacking energy: -61.529
Base-Backbone interact. energy: -0.103
local terms energy: -61.588894
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -8.330
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -165.137273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.137273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.137273 (E_RNA)
where:
Base-Base interactions energy: -100.610
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.167
local terms energy: -64.360603
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -147.525681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.525681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.525681 (E_RNA)
where:
Base-Base interactions energy: -83.081
where: short stacking energy: -43.245
Base-Backbone interact. energy: -0.244
local terms energy: -64.200797
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -90.618219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.618219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.618219 (E_RNA)
where:
Base-Base interactions energy: -48.314
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.918
local terms energy: -41.386355
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -2.338
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: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -96.307327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.307327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.307327 (E_RNA)
where:
Base-Base interactions energy: -39.456
where: short stacking energy: -34.615
Base-Backbone interact. energy: 1.387
local terms energy: -58.238318
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -131.201499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.201499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.201499 (E_RNA)
where:
Base-Base interactions energy: -74.873
where: short stacking energy: -35.499
Base-Backbone interact. energy: -0.148
local terms energy: -56.180752
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.694
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: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -77.507764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.507764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.507764 (E_RNA)
where:
Base-Base interactions energy: -27.386
where: short stacking energy: -23.603
Base-Backbone interact. energy: -0.328
local terms energy: -49.794030
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -207.906394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.906394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.906394 (E_RNA)
where:
Base-Base interactions energy: -130.372
where: short stacking energy: -76.080
Base-Backbone interact. energy: -2.957
local terms energy: -74.577356
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -204.906457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.906457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906457 (E_RNA)
where:
Base-Base interactions energy: -128.933
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.001
local terms energy: -75.972675
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -20.643
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: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -212.924061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.924061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.924061 (E_RNA)
where:
Base-Base interactions energy: -131.508
where: short stacking energy: -78.818
Base-Backbone interact. energy: 0.218
local terms energy: -81.634919
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -179.705546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.705546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.705546 (E_RNA)
where:
Base-Base interactions energy: -112.755
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.522
local terms energy: -66.428148
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -171.696810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.696810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.696810 (E_RNA)
where:
Base-Base interactions energy: -102.486
where: short stacking energy: -50.465
Base-Backbone interact. energy: -0.892
local terms energy: -68.318641
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -157.770311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.770311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.770311 (E_RNA)
where:
Base-Base interactions energy: -97.532
where: short stacking energy: -49.768
Base-Backbone interact. energy: -0.087
local terms energy: -60.150927
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -11.280
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: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -98.779673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.779673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.779673 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.106
local terms energy: -59.943298
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -7.879
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: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -125.423503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.423503 (E_RNA)
where:
Base-Base interactions energy: -66.955
where: short stacking energy: -32.774
Base-Backbone interact. energy: 1.186
local terms energy: -59.653634
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.331
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: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -81.908799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908799 (E_RNA)
where:
Base-Base interactions energy: -32.703
where: short stacking energy: -32.759
Base-Backbone interact. energy: 0.388
local terms energy: -49.594006
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -79.362703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.362703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.362703 (E_RNA)
where:
Base-Base interactions energy: -27.596
where: short stacking energy: -27.596
Base-Backbone interact. energy: -0.027
local terms energy: -51.739806
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -5.766
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -210.959767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.959767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.959767 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -76.412
Base-Backbone interact. energy: -0.010
local terms energy: -83.269451
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -211.713758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.713758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.713758 (E_RNA)
where:
Base-Base interactions energy: -127.943
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.007
local terms energy: -83.764326
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -20.606
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: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -178.450349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.450349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.450349 (E_RNA)
where:
Base-Base interactions energy: -104.966
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.585
local terms energy: -72.898745
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -16.372
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: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -201.919876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.919876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.919876 (E_RNA)
where:
Base-Base interactions energy: -123.605
where: short stacking energy: -65.160
Base-Backbone interact. energy: -0.214
local terms energy: -78.100429
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -176.035233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.035233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.035233 (E_RNA)
where:
Base-Base interactions energy: -108.336
where: short stacking energy: -62.134
Base-Backbone interact. energy: -1.412
local terms energy: -66.287545
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -16.758
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: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -160.160750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.160750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.160750 (E_RNA)
where:
Base-Base interactions energy: -95.962
where: short stacking energy: -47.721
Base-Backbone interact. energy: -0.035
local terms energy: -64.163288
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -11.891
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -147.415001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.415001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.415001 (E_RNA)
where:
Base-Base interactions energy: -86.429
where: short stacking energy: -45.789
Base-Backbone interact. energy: -0.475
local terms energy: -60.511234
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -12.018
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -80.594462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.594462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.594462 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -17.845
Base-Backbone interact. energy: -0.183
local terms energy: -42.158650
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: 2.029
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: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -79.770014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.770014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.770014 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -29.894
Base-Backbone interact. energy: -0.006
local terms energy: -49.869169
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -94.790627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.790627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.790627 (E_RNA)
where:
Base-Base interactions energy: -46.368
where: short stacking energy: -29.182
Base-Backbone interact. energy: -0.235
local terms energy: -48.186956
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -7.996
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -1.839
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: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -208.199500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.199500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.199500 (E_RNA)
where:
Base-Base interactions energy: -134.335
where: short stacking energy: -80.082
Base-Backbone interact. energy: -0.019
local terms energy: -73.844918
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -211.097295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.097295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.097295 (E_RNA)
where:
Base-Base interactions energy: -132.812
where: short stacking energy: -66.815
Base-Backbone interact. energy: -0.008
local terms energy: -78.276518
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -169.205021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.205021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.205021 (E_RNA)
where:
Base-Base interactions energy: -99.923
where: short stacking energy: -46.780
Base-Backbone interact. energy: -0.193
local terms energy: -69.088131
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -174.727133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.727133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.727133 (E_RNA)
where:
Base-Base interactions energy: -105.518
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.229
local terms energy: -68.980093
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -151.488869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.488869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.488869 (E_RNA)
where:
Base-Base interactions energy: -83.382
where: short stacking energy: -52.792
Base-Backbone interact. energy: -0.355
local terms energy: -67.751442
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -161.708673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.708673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.708673 (E_RNA)
where:
Base-Base interactions energy: -99.217
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.112
local terms energy: -62.380273
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -140.494158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.494158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.494158 (E_RNA)
where:
Base-Base interactions energy: -85.737
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.218
local terms energy: -54.538563
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.024
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: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -86.873709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.873709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.873709 (E_RNA)
where:
Base-Base interactions energy: -33.879
where: short stacking energy: -31.386
Base-Backbone interact. energy: -0.077
local terms energy: -52.918000
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -80.099670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.099670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.099670 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -24.290
Base-Backbone interact. energy: -0.109
local terms energy: -48.252059
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -86.404998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404998 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.133
local terms energy: -56.435944
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -220.825933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.825933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.825933 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -74.580
Base-Backbone interact. energy: -0.009
local terms energy: -82.912254
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -19.965
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: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -201.943009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.943009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.943009 (E_RNA)
where:
Base-Base interactions energy: -124.077
where: short stacking energy: -78.336
Base-Backbone interact. energy: -0.000
local terms energy: -77.866063
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -191.199730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.199730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.199730 (E_RNA)
where:
Base-Base interactions energy: -120.129
where: short stacking energy: -57.960
Base-Backbone interact. energy: 0.120
local terms energy: -71.190488
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -11.026
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: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -159.424285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.424285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.424285 (E_RNA)
where:
Base-Base interactions energy: -89.413
where: short stacking energy: -52.452
Base-Backbone interact. energy: -0.008
local terms energy: -70.004099
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -179.116123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.116123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.116123 (E_RNA)
where:
Base-Base interactions energy: -107.284
where: short stacking energy: -56.313
Base-Backbone interact. energy: -1.067
local terms energy: -70.764617
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -144.144899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.144899 (E_RNA)
where:
Base-Base interactions energy: -76.409
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.003
local terms energy: -67.733232
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -127.464396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.464396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.464396 (E_RNA)
where:
Base-Base interactions energy: -72.079
where: short stacking energy: -37.508
Base-Backbone interact. energy: 0.089
local terms energy: -55.474426
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -108.579528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.579528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.579528 (E_RNA)
where:
Base-Base interactions energy: -52.043
where: short stacking energy: -41.772
Base-Backbone interact. energy: -0.215
local terms energy: -56.322377
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -85.153538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.153538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.153538 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.009
local terms energy: -50.567843
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.581
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: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -79.024645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.024645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.024645 (E_RNA)
where:
Base-Base interactions energy: -29.602
where: short stacking energy: -29.602
Base-Backbone interact. energy: -0.135
local terms energy: -49.287286
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -6.894
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -211.223453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.223453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.223453 (E_RNA)
where:
Base-Base interactions energy: -134.909
where: short stacking energy: -75.189
Base-Backbone interact. energy: -0.014
local terms energy: -76.300186
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -20.558
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: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -213.002186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.002186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.002186 (E_RNA)
where:
Base-Base interactions energy: -135.529
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.691
local terms energy: -76.781786
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -181.206015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.206015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206015 (E_RNA)
where:
Base-Base interactions energy: -116.422
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.142
local terms energy: -64.642463
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -179.336146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.336146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.336146 (E_RNA)
where:
Base-Base interactions energy: -120.621
where: short stacking energy: -49.104
Base-Backbone interact. energy: -0.296
local terms energy: -58.418765
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -155.708894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.708894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.708894 (E_RNA)
where:
Base-Base interactions energy: -89.296
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.151
local terms energy: -66.261908
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.752
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: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -149.256914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.256914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.256914 (E_RNA)
where:
Base-Base interactions energy: -87.742
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.043
local terms energy: -61.472181
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -118.023336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.023336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.023336 (E_RNA)
where:
Base-Base interactions energy: -65.876
where: short stacking energy: -39.059
Base-Backbone interact. energy: 0.057
local terms energy: -52.204430
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -79.924304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.924304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.924304 (E_RNA)
where:
Base-Base interactions energy: -30.136
where: short stacking energy: -30.236
Base-Backbone interact. energy: -0.108
local terms energy: -49.680179
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -84.598323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.598323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.598323 (E_RNA)
where:
Base-Base interactions energy: -30.214
where: short stacking energy: -30.214
Base-Backbone interact. energy: 0.777
local terms energy: -55.161360
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -82.988273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.988273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.988273 (E_RNA)
where:
Base-Base interactions energy: -28.570
where: short stacking energy: -28.570
Base-Backbone interact. energy: -0.162
local terms energy: -54.256217
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -9.063
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: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -213.547132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.547132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.547132 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -71.969
Base-Backbone interact. energy: 0.938
local terms energy: -81.270183
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -205.292671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.292671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.292671 (E_RNA)
where:
Base-Base interactions energy: -129.302
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.003
local terms energy: -75.986749
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -18.526
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: 158
Temperature: 1.000000
Total energy: -172.574172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.574172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.574172 (E_RNA)
where:
Base-Base interactions energy: -103.830
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.055
local terms energy: -68.689811
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -188.990923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.990923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.990923 (E_RNA)
where:
Base-Base interactions energy: -110.408
where: short stacking energy: -66.824
Base-Backbone interact. energy: 0.528
local terms energy: -79.111317
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -21.484
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: 158
Temperature: 1.100000
Total energy: -165.774983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.774983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.774983 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -53.840
Base-Backbone interact. energy: 0.418
local terms energy: -54.618679
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -154.567744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.567744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.567744 (E_RNA)
where:
Base-Base interactions energy: -91.859
where: short stacking energy: -46.805
Base-Backbone interact. energy: -0.345
local terms energy: -62.364221
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -92.684754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.684754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.684754 (E_RNA)
where:
Base-Base interactions energy: -34.640
where: short stacking energy: -34.640
Base-Backbone interact. energy: -0.315
local terms energy: -57.730419
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -91.256999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.256999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.256999 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -36.097
Base-Backbone interact. energy: -0.229
local terms energy: -54.931122
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -2.084
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -84.979651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.979651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.979651 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.094
local terms energy: -59.202654
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -86.478857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.478857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.478857 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.141
local terms energy: -53.760216
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -210.266360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.266360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.266360 (E_RNA)
where:
Base-Base interactions energy: -132.975
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.123
local terms energy: -77.167509
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -18.635
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: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -219.005423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.005423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.005423 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -76.678
Base-Backbone interact. energy: 0.015
local terms energy: -79.361614
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -174.950299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.950299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.950299 (E_RNA)
where:
Base-Base interactions energy: -103.690
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.018
local terms energy: -71.242355
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -196.586967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.586967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.586967 (E_RNA)
where:
Base-Base interactions energy: -118.396
where: short stacking energy: -66.535
Base-Backbone interact. energy: -0.001
local terms energy: -78.189560
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -21.249
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: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -151.786897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.786897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.786897 (E_RNA)
where:
Base-Base interactions energy: -87.721
where: short stacking energy: -52.123
Base-Backbone interact. energy: -0.041
local terms energy: -64.025067
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.757
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: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -146.910605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.910605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.910605 (E_RNA)
where:
Base-Base interactions energy: -90.172
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.047
local terms energy: -56.690969
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -94.665281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.665281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.665281 (E_RNA)
where:
Base-Base interactions energy: -52.989
where: short stacking energy: -40.575
Base-Backbone interact. energy: -0.077
local terms energy: -41.599685
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -5.043
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -101.387053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.387053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.387053 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -37.361
Base-Backbone interact. energy: -0.192
local terms energy: -62.405521
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -10.724
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: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -97.977258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.977258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.977258 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.058
local terms energy: -52.233686
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -10.500
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: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.818163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.818163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.818163 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -25.125
Base-Backbone interact. energy: 0.203
local terms energy: -46.260886
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: 0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -225.135609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.135609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.135609 (E_RNA)
where:
Base-Base interactions energy: -143.473
where: short stacking energy: -83.895
Base-Backbone interact. energy: -0.009
local terms energy: -81.653830
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -203.056986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.056986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056986 (E_RNA)
where:
Base-Base interactions energy: -130.434
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.050
local terms energy: -72.572432
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -19.195
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: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -172.487068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.487068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.487068 (E_RNA)
where:
Base-Base interactions energy: -106.576
where: short stacking energy: -56.694
Base-Backbone interact. energy: -0.050
local terms energy: -65.860891
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -11.256
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: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -183.226315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.226315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.226315 (E_RNA)
where:
Base-Base interactions energy: -120.850
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.183
local terms energy: -62.192684
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -175.280563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.280563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.280563 (E_RNA)
where:
Base-Base interactions energy: -103.257
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.017
local terms energy: -72.006348
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -146.421432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.421432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.421432 (E_RNA)
where:
Base-Base interactions energy: -93.756
where: short stacking energy: -41.697
Base-Backbone interact. energy: -0.211
local terms energy: -52.455334
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -117.353499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.353499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.353499 (E_RNA)
where:
Base-Base interactions energy: -50.670
where: short stacking energy: -48.668
Base-Backbone interact. energy: -0.007
local terms energy: -66.676764
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -96.491125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491125 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.408
local terms energy: -52.574590
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -94.096541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.096541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.096541 (E_RNA)
where:
Base-Base interactions energy: -38.387
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.216
local terms energy: -55.493201
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -87.433940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.433940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.433940 (E_RNA)
where:
Base-Base interactions energy: -43.140
where: short stacking energy: -27.587
Base-Backbone interact. energy: -0.436
local terms energy: -43.858242
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -216.364740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.364740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.364740 (E_RNA)
where:
Base-Base interactions energy: -133.025
where: short stacking energy: -78.747
Base-Backbone interact. energy: -0.010
local terms energy: -83.329200
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -210.291010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.291010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.291010 (E_RNA)
where:
Base-Base interactions energy: -128.880
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.010
local terms energy: -81.400395
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -175.143038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143038 (E_RNA)
where:
Base-Base interactions energy: -105.470
where: short stacking energy: -57.697
Base-Backbone interact. energy: 0.269
local terms energy: -69.942255
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -194.567832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.567832 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.040
local terms energy: -73.621063
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -163.207953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.207953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.207953 (E_RNA)
where:
Base-Base interactions energy: -90.918
where: short stacking energy: -46.438
Base-Backbone interact. energy: -0.091
local terms energy: -72.198884
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -154.296116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.296116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.296116 (E_RNA)
where:
Base-Base interactions energy: -87.621
where: short stacking energy: -45.163
Base-Backbone interact. energy: -0.574
local terms energy: -66.100894
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.018
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -114.450089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450089 (E_RNA)
where:
Base-Base interactions energy: -57.924
where: short stacking energy: -41.271
Base-Backbone interact. energy: -0.039
local terms energy: -56.486380
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -102.089791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.089791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.089791 (E_RNA)
where:
Base-Base interactions energy: -41.103
where: short stacking energy: -41.103
Base-Backbone interact. energy: -0.023
local terms energy: -60.963843
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -12.721
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: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -85.023809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023809 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.072
local terms energy: -49.831629
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: 0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -88.287508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.287508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.287508 (E_RNA)
where:
Base-Base interactions energy: -20.222
where: short stacking energy: -20.222
Base-Backbone interact. energy: -1.216
local terms energy: -66.849707
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -12.886
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: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -210.215850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.215850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.215850 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -76.840
Base-Backbone interact. energy: -0.009
local terms energy: -83.115270
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -214.010833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.010833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.010833 (E_RNA)
where:
Base-Base interactions energy: -125.895
where: short stacking energy: -73.532
Base-Backbone interact. energy: -0.045
local terms energy: -88.070310
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -189.086487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.086487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.086487 (E_RNA)
where:
Base-Base interactions energy: -110.154
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.007
local terms energy: -78.924904
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -178.016353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.016353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.016353 (E_RNA)
where:
Base-Base interactions energy: -112.493
where: short stacking energy: -71.084
Base-Backbone interact. energy: -0.096
local terms energy: -65.427467
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -156.896913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.896913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.896913 (E_RNA)
where:
Base-Base interactions energy: -91.008
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.368
local terms energy: -65.520221
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -142.871992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.871992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.871992 (E_RNA)
where:
Base-Base interactions energy: -81.897
where: short stacking energy: -41.922
Base-Backbone interact. energy: -0.417
local terms energy: -60.558359
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -8.097
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -146.702941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.702941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.702941 (E_RNA)
where:
Base-Base interactions energy: -80.364
where: short stacking energy: -44.942
Base-Backbone interact. energy: -0.165
local terms energy: -66.173969
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -91.209921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.209921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.209921 (E_RNA)
where:
Base-Base interactions energy: -38.848
where: short stacking energy: -38.848
Base-Backbone interact. energy: -0.232
local terms energy: -52.130252
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -11.044
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: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -95.723223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.723223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.723223 (E_RNA)
where:
Base-Base interactions energy: -38.208
where: short stacking energy: -38.208
Base-Backbone interact. energy: 0.508
local terms energy: -58.023328
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.568619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568619 (E_RNA)
where:
Base-Base interactions energy: -25.267
where: short stacking energy: -25.267
Base-Backbone interact. energy: -0.345
local terms energy: -52.956843
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -215.003309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003309 (E_RNA)
where:
Base-Base interactions energy: -133.672
where: short stacking energy: -78.638
Base-Backbone interact. energy: -0.037
local terms energy: -81.293995
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -18.878
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: 163
Temperature: 0.950000
Total energy: -196.021507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.021507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.021507 (E_RNA)
where:
Base-Base interactions energy: -121.160
where: short stacking energy: -67.508
Base-Backbone interact. energy: 0.469
local terms energy: -75.330654
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.057
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: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -194.977356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.977356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.977356 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -63.463
Base-Backbone interact. energy: -0.001
local terms energy: -79.855135
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -173.831539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.831539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.831539 (E_RNA)
where:
Base-Base interactions energy: -110.497
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.023
local terms energy: -63.311502
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -165.259187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.259187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.259187 (E_RNA)
where:
Base-Base interactions energy: -97.821
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.002
local terms energy: -67.435243
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -139.954483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.954483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.954483 (E_RNA)
where:
Base-Base interactions energy: -80.588
where: short stacking energy: -46.212
Base-Backbone interact. energy: 0.733
local terms energy: -60.099257
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.268
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: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -140.144120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.144120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.144120 (E_RNA)
where:
Base-Base interactions energy: -85.051
where: short stacking energy: -41.645
Base-Backbone interact. energy: -0.241
local terms energy: -54.852506
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -92.756301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.756301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.756301 (E_RNA)
where:
Base-Base interactions energy: -35.296
where: short stacking energy: -35.296
Base-Backbone interact. energy: -0.379
local terms energy: -57.081879
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -7.110
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: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -88.551208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.551208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.551208 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.351
local terms energy: -50.778610
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -105.801104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.801104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.801104 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -48.088
Base-Backbone interact. energy: -0.012
local terms energy: -57.701058
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -213.730825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.730825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.730825 (E_RNA)
where:
Base-Base interactions energy: -131.873
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.049
local terms energy: -81.808147
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -201.972953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.972953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.972953 (E_RNA)
where:
Base-Base interactions energy: -123.039
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.099
local terms energy: -78.834787
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -163.571702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.571702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.571702 (E_RNA)
where:
Base-Base interactions energy: -105.414
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.161
local terms energy: -57.996440
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -12.685
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: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -188.522666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.522666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.522666 (E_RNA)
where:
Base-Base interactions energy: -110.786
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.031
local terms energy: -77.705136
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -151.340573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.340573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.340573 (E_RNA)
where:
Base-Base interactions energy: -89.321
where: short stacking energy: -39.911
Base-Backbone interact. energy: 0.269
local terms energy: -62.288777
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -155.336991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.336991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.336991 (E_RNA)
where:
Base-Base interactions energy: -85.980
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.021
local terms energy: -69.336757
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -12.280
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: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -150.571833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.571833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.571833 (E_RNA)
where:
Base-Base interactions energy: -90.042
where: short stacking energy: -48.874
Base-Backbone interact. energy: -0.028
local terms energy: -60.501880
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -96.987871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.987871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.987871 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.130
local terms energy: -58.383554
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -105.466726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.466726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.466726 (E_RNA)
where:
Base-Base interactions energy: -53.954
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.313
local terms energy: -51.200128
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -5.157
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: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -94.497250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497250 (E_RNA)
where:
Base-Base interactions energy: -31.239
where: short stacking energy: -18.782
Base-Backbone interact. energy: -0.251
local terms energy: -63.007265
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -8.484
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -226.272502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.272502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.272502 (E_RNA)
where:
Base-Base interactions energy: -143.504
where: short stacking energy: -82.180
Base-Backbone interact. energy: -0.002
local terms energy: -82.766262
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -202.625858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.625858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.625858 (E_RNA)
where:
Base-Base interactions energy: -129.577
where: short stacking energy: -68.890
Base-Backbone interact. energy: -0.006
local terms energy: -73.042073
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -173.581168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.581168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.581168 (E_RNA)
where:
Base-Base interactions energy: -99.306
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.047
local terms energy: -74.228511
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -178.440220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.440220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.440220 (E_RNA)
where:
Base-Base interactions energy: -116.364
where: short stacking energy: -71.057
Base-Backbone interact. energy: -0.021
local terms energy: -62.055718
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -2.542
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -179.869387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.869387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.869387 (E_RNA)
where:
Base-Base interactions energy: -114.474
where: short stacking energy: -46.799
Base-Backbone interact. energy: -0.076
local terms energy: -65.318944
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -11.969
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: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -142.544721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.544721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.544721 (E_RNA)
where:
Base-Base interactions energy: -77.009
where: short stacking energy: -47.417
Base-Backbone interact. energy: -0.054
local terms energy: -65.481451
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -137.805652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.805652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.805652 (E_RNA)
where:
Base-Base interactions energy: -80.897
where: short stacking energy: -40.360
Base-Backbone interact. energy: -0.166
local terms energy: -56.743238
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -96.631188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.631188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.631188 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -38.954
Base-Backbone interact. energy: -0.210
local terms energy: -57.467260
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -104.244082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.244082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.244082 (E_RNA)
where:
Base-Base interactions energy: -53.060
where: short stacking energy: -29.613
Base-Backbone interact. energy: -0.503
local terms energy: -50.680993
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -86.042184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042184 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -26.626
Base-Backbone interact. energy: -1.150
local terms energy: -58.265559
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -6.926
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: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -218.702637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.702637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.702637 (E_RNA)
where:
Base-Base interactions energy: -131.642
where: short stacking energy: -81.685
Base-Backbone interact. energy: -2.329
local terms energy: -84.731405
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -206.557378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.557378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.557378 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.013
local terms energy: -83.463410
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -19.938
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: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -179.217183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.217183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.217183 (E_RNA)
where:
Base-Base interactions energy: -104.927
where: short stacking energy: -52.013
Base-Backbone interact. energy: -1.475
local terms energy: -72.815801
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -8.944
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: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -171.905410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.905410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.905410 (E_RNA)
where:
Base-Base interactions energy: -100.090
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.456
local terms energy: -71.360143
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -187.867382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.867382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.867382 (E_RNA)
where:
Base-Base interactions energy: -115.444
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.025
local terms energy: -72.398350
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -16.499
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: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -142.835352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.835352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.835352 (E_RNA)
where:
Base-Base interactions energy: -79.109
where: short stacking energy: -43.312
Base-Backbone interact. energy: -1.609
local terms energy: -62.117459
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -150.662652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.662652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.662652 (E_RNA)
where:
Base-Base interactions energy: -86.227
where: short stacking energy: -47.208
Base-Backbone interact. energy: -0.136
local terms energy: -64.299142
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -87.205998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.205998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.205998 (E_RNA)
where:
Base-Base interactions energy: -38.665
where: short stacking energy: -34.711
Base-Backbone interact. energy: -0.213
local terms energy: -48.327830
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.543
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: 166
Temperature: 1.300000
Total energy: -87.831459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.831459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.831459 (E_RNA)
where:
Base-Base interactions energy: -33.998
where: short stacking energy: -20.670
Base-Backbone interact. energy: -0.759
local terms energy: -53.073877
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -6.804
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -80.092339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.092339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.092339 (E_RNA)
where:
Base-Base interactions energy: -29.600
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.027
local terms energy: -50.464562
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -207.155586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.155586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.155586 (E_RNA)
where:
Base-Base interactions energy: -125.049
where: short stacking energy: -68.388
Base-Backbone interact. energy: 0.004
local terms energy: -82.111180
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -212.533108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.533108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.533108 (E_RNA)
where:
Base-Base interactions energy: -136.069
where: short stacking energy: -74.685
Base-Backbone interact. energy: -0.001
local terms energy: -76.463432
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -188.502332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.502332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.502332 (E_RNA)
where:
Base-Base interactions energy: -112.482
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.112
local terms energy: -75.908597
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -191.752008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.752008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.752008 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.006
local terms energy: -64.622578
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -16.484
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: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -172.534014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.534014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.534014 (E_RNA)
where:
Base-Base interactions energy: -100.420
where: short stacking energy: -55.722
Base-Backbone interact. energy: -0.609
local terms energy: -71.505138
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -156.696351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.696351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.696351 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.191
local terms energy: -63.304815
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -11.945
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: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -146.077079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.077079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.077079 (E_RNA)
where:
Base-Base interactions energy: -84.688
where: short stacking energy: -51.274
Base-Backbone interact. energy: -0.179
local terms energy: -61.210232
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -86.369130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.369130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.369130 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.163
local terms energy: -56.623123
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -85.192065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.192065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.192065 (E_RNA)
where:
Base-Base interactions energy: -36.158
where: short stacking energy: -22.733
Base-Backbone interact. energy: -0.001
local terms energy: -49.032557
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -82.676498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.676498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.676498 (E_RNA)
where:
Base-Base interactions energy: -28.348
where: short stacking energy: -30.048
Base-Backbone interact. energy: -0.280
local terms energy: -54.048560
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -12.583
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: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -214.960579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.960579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.960579 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -79.565
Base-Backbone interact. energy: -0.091
local terms energy: -71.911600
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -22.163
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: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -209.698622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.698622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.698622 (E_RNA)
where:
Base-Base interactions energy: -132.627
where: short stacking energy: -66.112
Base-Backbone interact. energy: 0.458
local terms energy: -77.530078
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -17.734
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: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -198.797837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797837 (E_RNA)
where:
Base-Base interactions energy: -122.140
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.144
local terms energy: -76.513556
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -182.831578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.831578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.831578 (E_RNA)
where:
Base-Base interactions energy: -108.749
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.368
local terms energy: -73.714936
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -167.619566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.619566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.619566 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.040
local terms energy: -62.528330
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -15.004
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: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -151.329532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.329532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.329532 (E_RNA)
where:
Base-Base interactions energy: -82.589
where: short stacking energy: -46.019
Base-Backbone interact. energy: 0.109
local terms energy: -68.849672
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -9.155
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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -154.224583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.224583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.224583 (E_RNA)
where:
Base-Base interactions energy: -88.275
where: short stacking energy: -48.555
Base-Backbone interact. energy: -0.028
local terms energy: -65.921864
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -88.777231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.777231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.777231 (E_RNA)
where:
Base-Base interactions energy: -33.819
where: short stacking energy: -33.819
Base-Backbone interact. energy: -1.251
local terms energy: -53.707359
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -79.820886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.820886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.820886 (E_RNA)
where:
Base-Base interactions energy: -23.012
where: short stacking energy: -23.012
Base-Backbone interact. energy: 0.291
local terms energy: -57.099916
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -78.568662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568662 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.119
local terms energy: -42.385657
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: 0.928
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -206.263868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.263868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.263868 (E_RNA)
where:
Base-Base interactions energy: -125.982
where: short stacking energy: -73.719
Base-Backbone interact. energy: 0.960
local terms energy: -81.241794
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -212.521113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.521113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.521113 (E_RNA)
where:
Base-Base interactions energy: -139.108
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.204
local terms energy: -73.208993
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -205.416987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.416987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.416987 (E_RNA)
where:
Base-Base interactions energy: -126.905
where: short stacking energy: -78.185
Base-Backbone interact. energy: -0.022
local terms energy: -78.489691
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -179.586847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.586847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.586847 (E_RNA)
where:
Base-Base interactions energy: -99.240
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.642
local terms energy: -79.705490
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -165.482578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.482578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.482578 (E_RNA)
where:
Base-Base interactions energy: -95.749
where: short stacking energy: -49.360
Base-Backbone interact. energy: -0.592
local terms energy: -69.142082
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -10.124
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: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -156.645218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.645218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.645218 (E_RNA)
where:
Base-Base interactions energy: -92.622
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.233
local terms energy: -63.790259
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -118.788742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.788742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.788742 (E_RNA)
where:
Base-Base interactions energy: -56.661
where: short stacking energy: -29.932
Base-Backbone interact. energy: 0.732
local terms energy: -62.859510
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -89.957202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.957202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.957202 (E_RNA)
where:
Base-Base interactions energy: -37.662
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.602
local terms energy: -51.692441
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -82.515165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515165 (E_RNA)
where:
Base-Base interactions energy: -30.437
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.009
local terms energy: -52.069948
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -80.564469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.564469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.564469 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -29.907
Base-Backbone interact. energy: -0.134
local terms energy: -50.523500
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -6.134
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: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -218.700057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.700057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.700057 (E_RNA)
where:
Base-Base interactions energy: -136.945
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.358
local terms energy: -81.396421
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -20.440
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: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -201.338970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.338970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.338970 (E_RNA)
where:
Base-Base interactions energy: -126.912
where: short stacking energy: -77.213
Base-Backbone interact. energy: -0.002
local terms energy: -74.425211
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -193.418142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.418142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.418142 (E_RNA)
where:
Base-Base interactions energy: -119.479
where: short stacking energy: -75.120
Base-Backbone interact. energy: -0.011
local terms energy: -73.928243
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -177.309858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.309858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.309858 (E_RNA)
where:
Base-Base interactions energy: -100.266
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.027
local terms energy: -77.016105
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -178.394945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.394945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.394945 (E_RNA)
where:
Base-Base interactions energy: -107.047
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.012
local terms energy: -71.335872
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -150.550564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.550564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.550564 (E_RNA)
where:
Base-Base interactions energy: -88.696
where: short stacking energy: -48.101
Base-Backbone interact. energy: -0.059
local terms energy: -61.796281
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -143.068682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.068682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.068682 (E_RNA)
where:
Base-Base interactions energy: -75.590
where: short stacking energy: -45.508
Base-Backbone interact. energy: -0.094
local terms energy: -67.384999
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -88.332685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.332685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.332685 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.326
local terms energy: -48.494043
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -94.002331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.002331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.002331 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.305
local terms energy: -58.904715
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -85.243884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.243884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.243884 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.251
local terms energy: -41.065146
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -4.829
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -218.269191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.269191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.269191 (E_RNA)
where:
Base-Base interactions energy: -138.693
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.772
local terms energy: -78.804640
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -196.395734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.395734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.395734 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.102
local terms energy: -77.032677
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -212.557721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.557721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.557721 (E_RNA)
where:
Base-Base interactions energy: -130.671
where: short stacking energy: -79.844
Base-Backbone interact. energy: -0.037
local terms energy: -81.849562
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -23.358
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: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -171.824871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.824871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824871 (E_RNA)
where:
Base-Base interactions energy: -98.456
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.204
local terms energy: -73.165208
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -9.225
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -163.348845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.348845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.348845 (E_RNA)
where:
Base-Base interactions energy: -101.265
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.619
local terms energy: -61.464705
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -11.812
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: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -165.806937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.806937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.806937 (E_RNA)
where:
Base-Base interactions energy: -104.850
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.198
local terms energy: -60.758271
where:
bonds (distance) C4'-P energy: -5.021
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -160.586616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.586616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.586616 (E_RNA)
where:
Base-Base interactions energy: -91.395
where: short stacking energy: -55.365
Base-Backbone interact. energy: -0.000
local terms energy: -69.190801
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -89.378740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.378740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.378740 (E_RNA)
where:
Base-Base interactions energy: -37.149
where: short stacking energy: -36.124
Base-Backbone interact. energy: -0.364
local terms energy: -51.865616
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -10.585
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: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -93.586126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.586126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.586126 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.001
local terms energy: -56.604498
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: 2.068
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -85.796465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.796465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.796465 (E_RNA)
where:
Base-Base interactions energy: -31.654
where: short stacking energy: -31.021
Base-Backbone interact. energy: 1.158
local terms energy: -55.301010
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -191.354688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.354688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.354688 (E_RNA)
where:
Base-Base interactions energy: -113.349
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.161
local terms energy: -77.845175
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -211.325857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.325857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.325857 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -74.895
Base-Backbone interact. energy: -0.001
local terms energy: -80.500290
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -213.721081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.721081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.721081 (E_RNA)
where:
Base-Base interactions energy: -132.846
where: short stacking energy: -81.352
Base-Backbone interact. energy: -2.137
local terms energy: -78.738412
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -182.903455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.903455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.903455 (E_RNA)
where:
Base-Base interactions energy: -101.746
where: short stacking energy: -57.134
Base-Backbone interact. energy: -0.080
local terms energy: -81.077952
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -160.894501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.894501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.894501 (E_RNA)
where:
Base-Base interactions energy: -98.967
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.619
local terms energy: -61.308161
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -168.781027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.781027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.781027 (E_RNA)
where:
Base-Base interactions energy: -110.777
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.829
local terms energy: -57.174727
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -151.917581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.917581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.917581 (E_RNA)
where:
Base-Base interactions energy: -79.000
where: short stacking energy: -45.602
Base-Backbone interact. energy: -0.049
local terms energy: -72.868971
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -90.088957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.088957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.088957 (E_RNA)
where:
Base-Base interactions energy: -41.274
where: short stacking energy: -38.139
Base-Backbone interact. energy: -0.077
local terms energy: -48.737453
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -2.331
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: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -87.180656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.180656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.180656 (E_RNA)
where:
Base-Base interactions energy: -34.970
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.200
local terms energy: -52.010933
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -9.770
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: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -86.041053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.041053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.041053 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -34.236
Base-Backbone interact. energy: 1.217
local terms energy: -52.757478
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -196.041699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.041699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.041699 (E_RNA)
where:
Base-Base interactions energy: -126.482
where: short stacking energy: -73.449
Base-Backbone interact. energy: 0.566
local terms energy: -70.125989
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -16.763
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: 173
Temperature: 0.950000
Total energy: -219.496019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.496019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.496019 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -82.640
Base-Backbone interact. energy: -0.289
local terms energy: -81.193727
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -200.085002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.085002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.085002 (E_RNA)
where:
Base-Base interactions energy: -120.775
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.098
local terms energy: -79.211688
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -17.055
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: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -169.413612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.413612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.413612 (E_RNA)
where:
Base-Base interactions energy: -94.458
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.029
local terms energy: -74.926959
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -170.227301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.227301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.227301 (E_RNA)
where:
Base-Base interactions energy: -113.813
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.596
local terms energy: -55.818168
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -157.622117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.622117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.622117 (E_RNA)
where:
Base-Base interactions energy: -92.503
where: short stacking energy: -51.654
Base-Backbone interact. energy: -0.208
local terms energy: -64.910760
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -147.135302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.135302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.135302 (E_RNA)
where:
Base-Base interactions energy: -83.681
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.455
local terms energy: -62.999510
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -10.300
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: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -88.564171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.564171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.564171 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.046
local terms energy: -50.815778
where:
bonds (distance) C4'-P energy: -7.146
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -5.341
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: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -79.541411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.541411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.541411 (E_RNA)
where:
Base-Base interactions energy: -30.485
where: short stacking energy: -28.104
Base-Backbone interact. energy: -0.053
local terms energy: -49.003393
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -6.900
flat angles P-C4'-P energy: -7.640
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: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -91.431574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.431574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.431574 (E_RNA)
where:
Base-Base interactions energy: -31.326
where: short stacking energy: -31.326
Base-Backbone interact. energy: -0.164
local terms energy: -59.941857
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -209.341884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.341884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.341884 (E_RNA)
where:
Base-Base interactions energy: -129.103
where: short stacking energy: -72.860
Base-Backbone interact. energy: 0.545
local terms energy: -80.784116
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -217.184474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.184474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.184474 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.740
local terms energy: -81.042170
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -24.433
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: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -208.332705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.332705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.332705 (E_RNA)
where:
Base-Base interactions energy: -125.064
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.008
local terms energy: -83.260252
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -165.449264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.449264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.449264 (E_RNA)
where:
Base-Base interactions energy: -102.277
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.080
local terms energy: -63.092301
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -14.036
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: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -166.584183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.584183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.584183 (E_RNA)
where:
Base-Base interactions energy: -100.488
where: short stacking energy: -49.762
Base-Backbone interact. energy: -0.195
local terms energy: -65.901501
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -136.332916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.332916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.332916 (E_RNA)
where:
Base-Base interactions energy: -77.439
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.224
local terms energy: -58.669975
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.816
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: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -151.987849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.987849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.987849 (E_RNA)
where:
Base-Base interactions energy: -95.023
where: short stacking energy: -41.679
Base-Backbone interact. energy: -0.625
local terms energy: -56.340156
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -11.010
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: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -104.790507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.790507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.790507 (E_RNA)
where:
Base-Base interactions energy: -52.908
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.184
local terms energy: -51.698875
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -85.891650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891650 (E_RNA)
where:
Base-Base interactions energy: -34.946
where: short stacking energy: -34.946
Base-Backbone interact. energy: -0.416
local terms energy: -50.529524
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -100.060440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.060440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.060440 (E_RNA)
where:
Base-Base interactions energy: -45.884
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.258
local terms energy: -53.917582
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -1.711
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: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -198.339817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.339817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.339817 (E_RNA)
where:
Base-Base interactions energy: -120.336
where: short stacking energy: -67.889
Base-Backbone interact. energy: 0.682
local terms energy: -78.686133
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -214.450511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.450511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.450511 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -75.683
Base-Backbone interact. energy: -0.135
local terms energy: -79.994213
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -209.893325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.893325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.893325 (E_RNA)
where:
Base-Base interactions energy: -128.160
where: short stacking energy: -73.893
Base-Backbone interact. energy: 0.632
local terms energy: -82.365630
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -163.889972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.889972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.889972 (E_RNA)
where:
Base-Base interactions energy: -94.783
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.001
local terms energy: -69.105428
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -22.505
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: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -159.302425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.302425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.302425 (E_RNA)
where:
Base-Base interactions energy: -88.820
where: short stacking energy: -40.249
Base-Backbone interact. energy: -0.134
local terms energy: -70.349223
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -141.276017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.276017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.276017 (E_RNA)
where:
Base-Base interactions energy: -81.734
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.892
local terms energy: -58.650067
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -11.513
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: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -161.409652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.409652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.409652 (E_RNA)
where:
Base-Base interactions energy: -90.297
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.141
local terms energy: -70.971357
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -14.618
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: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -88.542129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.542129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.542129 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -34.273
Base-Backbone interact. energy: 0.061
local terms energy: -54.329903
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -6.998
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: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -95.026478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.026478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.026478 (E_RNA)
where:
Base-Base interactions energy: -37.329
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.267
local terms energy: -57.430255
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: 0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -96.105489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.105489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.105489 (E_RNA)
where:
Base-Base interactions energy: -42.452
where: short stacking energy: -27.979
Base-Backbone interact. energy: -0.108
local terms energy: -53.545492
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -215.665636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.665636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.665636 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -72.970
Base-Backbone interact. energy: -0.031
local terms energy: -77.512335
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -191.108485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.108485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.108485 (E_RNA)
where:
Base-Base interactions energy: -112.744
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.020
local terms energy: -78.344338
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -15.976
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -208.756204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.756204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.756204 (E_RNA)
where:
Base-Base interactions energy: -132.606
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.001
local terms energy: -76.149331
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -174.044396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.044396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.044396 (E_RNA)
where:
Base-Base interactions energy: -100.313
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.130
local terms energy: -73.601241
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.347
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: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -158.463871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.463871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.463871 (E_RNA)
where:
Base-Base interactions energy: -95.842
where: short stacking energy: -48.395
Base-Backbone interact. energy: -0.002
local terms energy: -62.620368
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.446
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: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -148.174296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.174296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.174296 (E_RNA)
where:
Base-Base interactions energy: -91.587
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.453
local terms energy: -56.133822
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -9.966
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -6.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -131.115553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.115553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.115553 (E_RNA)
where:
Base-Base interactions energy: -74.354
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.122
local terms energy: -56.640127
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -95.078340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.078340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.078340 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.073
local terms energy: -58.317524
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -81.179461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.179461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.179461 (E_RNA)
where:
Base-Base interactions energy: -28.389
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.095
local terms energy: -52.695083
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -74.964917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964917 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.952
local terms energy: -43.928908
where:
bonds (distance) C4'-P energy: -5.355
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.707
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: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -218.450237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.450237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.450237 (E_RNA)
where:
Base-Base interactions energy: -135.853
where: short stacking energy: -80.431
Base-Backbone interact. energy: -0.514
local terms energy: -82.083777
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -201.972822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.972822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.972822 (E_RNA)
where:
Base-Base interactions energy: -122.143
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.083
local terms energy: -79.746794
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -20.408
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -179.974095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.974095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.974095 (E_RNA)
where:
Base-Base interactions energy: -117.041
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.103
local terms energy: -62.829331
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -184.275347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.275347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.275347 (E_RNA)
where:
Base-Base interactions energy: -106.219
where: short stacking energy: -60.299
Base-Backbone interact. energy: 0.295
local terms energy: -78.351630
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -180.620325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.620325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.620325 (E_RNA)
where:
Base-Base interactions energy: -105.966
where: short stacking energy: -61.683
Base-Backbone interact. energy: -0.149
local terms energy: -74.505687
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -151.132729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.132729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.132729 (E_RNA)
where:
Base-Base interactions energy: -87.612
where: short stacking energy: -56.666
Base-Backbone interact. energy: 0.299
local terms energy: -63.820374
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -5.020
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: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -158.927199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.927199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.927199 (E_RNA)
where:
Base-Base interactions energy: -91.849
where: short stacking energy: -51.405
Base-Backbone interact. energy: -0.256
local terms energy: -66.822351
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -15.293
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: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -90.402020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.402020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.402020 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -27.195
Base-Backbone interact. energy: -0.121
local terms energy: -63.085548
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.772
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -87.446404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.446404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.446404 (E_RNA)
where:
Base-Base interactions energy: -33.225
where: short stacking energy: -33.225
Base-Backbone interact. energy: 0.886
local terms energy: -55.108243
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -77.741539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.741539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.741539 (E_RNA)
where:
Base-Base interactions energy: -26.487
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.113
local terms energy: -51.140993
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -3.731
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: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -207.413972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.413972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.413972 (E_RNA)
where:
Base-Base interactions energy: -127.066
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.219
local terms energy: -80.128955
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -19.106
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: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -210.708873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.708873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.708873 (E_RNA)
where:
Base-Base interactions energy: -128.289
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.131
local terms energy: -82.288351
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -180.336777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.336777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.336777 (E_RNA)
where:
Base-Base interactions energy: -106.632
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.003
local terms energy: -73.702244
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.712
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: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -174.294055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.294055 (E_RNA)
where:
Base-Base interactions energy: -107.163
where: short stacking energy: -50.157
Base-Backbone interact. energy: -0.049
local terms energy: -67.081269
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.309
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: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -166.289006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.289006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.289006 (E_RNA)
where:
Base-Base interactions energy: -99.541
where: short stacking energy: -56.557
Base-Backbone interact. energy: -0.077
local terms energy: -66.671256
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -156.991715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.991715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.991715 (E_RNA)
where:
Base-Base interactions energy: -90.736
where: short stacking energy: -49.973
Base-Backbone interact. energy: 0.060
local terms energy: -66.315614
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -6.994
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: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -149.488212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.488212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.488212 (E_RNA)
where:
Base-Base interactions energy: -92.109
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.054
local terms energy: -57.325102
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -6.882
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: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -88.461499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.461499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.461499 (E_RNA)
where:
Base-Base interactions energy: -33.415
where: short stacking energy: -33.415
Base-Backbone interact. energy: -0.455
local terms energy: -54.591939
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -84.810373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810373 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -30.862
Base-Backbone interact. energy: -0.106
local terms energy: -53.842258
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -80.621181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.621181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.621181 (E_RNA)
where:
Base-Base interactions energy: -32.081
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.071
local terms energy: -48.469619
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: 1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -220.147251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.147251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147251 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -84.128
Base-Backbone interact. energy: -1.974
local terms energy: -76.579910
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -206.108745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.108745 (E_RNA)
where:
Base-Base interactions energy: -136.429
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.053
local terms energy: -69.626944
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -171.852694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.852694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.852694 (E_RNA)
where:
Base-Base interactions energy: -90.919
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.598
local terms energy: -80.335030
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -178.298648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.298648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.298648 (E_RNA)
where:
Base-Base interactions energy: -104.672
where: short stacking energy: -53.457
Base-Backbone interact. energy: -0.037
local terms energy: -73.590343
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -167.881959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.881959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.881959 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.038
local terms energy: -56.797653
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -13.656
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: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -160.964000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.964000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.964000 (E_RNA)
where:
Base-Base interactions energy: -93.959
where: short stacking energy: -53.163
Base-Backbone interact. energy: -0.008
local terms energy: -66.997180
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -147.777650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.777650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.777650 (E_RNA)
where:
Base-Base interactions energy: -87.453
where: short stacking energy: -40.237
Base-Backbone interact. energy: -0.174
local terms energy: -60.150725
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -10.868
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: 8, replica: 5
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -90.022460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.022460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.022460 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -36.064
Base-Backbone interact. energy: -0.137
local terms energy: -53.820916
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -72.102977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.102977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.102977 (E_RNA)
where:
Base-Base interactions energy: -19.652
where: short stacking energy: -19.652
Base-Backbone interact. energy: -0.274
local terms energy: -52.177525
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: 1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -74.203798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.203798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.203798 (E_RNA)
where:
Base-Base interactions energy: -24.742
where: short stacking energy: -23.194
Base-Backbone interact. energy: -0.240
local terms energy: -49.221368
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -3.175
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -219.021954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.021954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.021954 (E_RNA)
where:
Base-Base interactions energy: -137.382
where: short stacking energy: -82.960
Base-Backbone interact. energy: -0.042
local terms energy: -81.597881
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -24.809
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -215.371476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.371476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.371476 (E_RNA)
where:
Base-Base interactions energy: -134.196
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.030
local terms energy: -81.146214
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -192.928903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.928903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928903 (E_RNA)
where:
Base-Base interactions energy: -112.134
where: short stacking energy: -59.508
Base-Backbone interact. energy: -0.191
local terms energy: -80.604228
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -178.856155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.856155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.856155 (E_RNA)
where:
Base-Base interactions energy: -101.749
where: short stacking energy: -57.289
Base-Backbone interact. energy: 0.196
local terms energy: -77.303442
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -176.407017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.407017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.407017 (E_RNA)
where:
Base-Base interactions energy: -106.423
where: short stacking energy: -61.998
Base-Backbone interact. energy: 2.213
local terms energy: -72.196874
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.879
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: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -155.332173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.332173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.332173 (E_RNA)
where:
Base-Base interactions energy: -93.993
where: short stacking energy: -48.725
Base-Backbone interact. energy: -0.231
local terms energy: -61.107733
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.878
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: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -150.106101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.106101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.106101 (E_RNA)
where:
Base-Base interactions energy: -85.645
where: short stacking energy: -41.197
Base-Backbone interact. energy: -0.130
local terms energy: -64.330543
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -9.168
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: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -84.491345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.491345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.491345 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.108
local terms energy: -51.420872
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -98.463102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.463102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.463102 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.131
local terms energy: -58.714733
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -82.702694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702694 (E_RNA)
where:
Base-Base interactions energy: -28.793
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.127
local terms energy: -53.783034
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -4.291
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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -211.677291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.677291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.677291 (E_RNA)
where:
Base-Base interactions energy: -134.532
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.043
local terms energy: -77.102667
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -192.440162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.440162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.440162 (E_RNA)
where:
Base-Base interactions energy: -114.684
where: short stacking energy: -72.889
Base-Backbone interact. energy: -0.037
local terms energy: -77.718429
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -207.331454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.331454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.331454 (E_RNA)
where:
Base-Base interactions energy: -128.944
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.228
local terms energy: -78.159036
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -180.019782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.019782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.019782 (E_RNA)
where:
Base-Base interactions energy: -108.041
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.013
local terms energy: -71.965481
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -174.928525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.928525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.928525 (E_RNA)
where:
Base-Base interactions energy: -102.252
where: short stacking energy: -52.148
Base-Backbone interact. energy: -0.055
local terms energy: -72.621373
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -154.729219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.729219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.729219 (E_RNA)
where:
Base-Base interactions energy: -86.370
where: short stacking energy: -48.974
Base-Backbone interact. energy: -0.008
local terms energy: -68.351508
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -147.422724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.422724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.422724 (E_RNA)
where:
Base-Base interactions energy: -85.936
where: short stacking energy: -42.705
Base-Backbone interact. energy: -1.385
local terms energy: -60.101380
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -90.479346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479346 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -36.952
Base-Backbone interact. energy: -0.018
local terms energy: -53.509784
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -91.223827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.223827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.223827 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -27.686
Base-Backbone interact. energy: 0.066
local terms energy: -61.402678
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: 0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -86.343248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.343248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.343248 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -27.943
Base-Backbone interact. energy: -0.102
local terms energy: -49.054829
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -210.846081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.846081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.846081 (E_RNA)
where:
Base-Base interactions energy: -131.282
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.136
local terms energy: -79.427834
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -191.605668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.605668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.605668 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -65.530
Base-Backbone interact. energy: -0.008
local terms energy: -70.992318
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -201.774926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774926 (E_RNA)
where:
Base-Base interactions energy: -123.245
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.096
local terms energy: -78.434441
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -187.347982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.347982 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.081
local terms energy: -77.525388
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -167.444873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.444873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.444873 (E_RNA)
where:
Base-Base interactions energy: -104.715
where: short stacking energy: -53.259
Base-Backbone interact. energy: -0.150
local terms energy: -62.580334
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -15.213
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: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -163.235182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.235182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.235182 (E_RNA)
where:
Base-Base interactions energy: -95.789
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.421
local terms energy: -67.025430
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.834
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: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -145.168419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.168419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.168419 (E_RNA)
where:
Base-Base interactions energy: -90.524
where: short stacking energy: -46.013
Base-Backbone interact. energy: -0.230
local terms energy: -54.413623
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -86.884075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884075 (E_RNA)
where:
Base-Base interactions energy: -36.417
where: short stacking energy: -36.417
Base-Backbone interact. energy: -0.111
local terms energy: -50.355566
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -81.617050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.617050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.617050 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -25.468
Base-Backbone interact. energy: -0.098
local terms energy: -47.971927
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -75.588520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.588520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.588520 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -24.773
Base-Backbone interact. energy: -0.253
local terms energy: -47.180736
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -221.186136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.186136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.186136 (E_RNA)
where:
Base-Base interactions energy: -131.812
where: short stacking energy: -79.389
Base-Backbone interact. energy: -0.234
local terms energy: -89.139447
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -207.291197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.291197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.291197 (E_RNA)
where:
Base-Base interactions energy: -123.609
where: short stacking energy: -70.943
Base-Backbone interact. energy: -0.024
local terms energy: -83.658607
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -20.197
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -190.570560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.570560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.570560 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.049
local terms energy: -77.590662
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -185.971047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.971047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.971047 (E_RNA)
where:
Base-Base interactions energy: -112.085
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.270
local terms energy: -73.615634
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -188.184626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.184626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.184626 (E_RNA)
where:
Base-Base interactions energy: -119.532
where: short stacking energy: -62.785
Base-Backbone interact. energy: 0.515
local terms energy: -69.167647
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -15.774
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: 183
Temperature: 1.150000
Total energy: -153.563509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.563509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.563509 (E_RNA)
where:
Base-Base interactions energy: -89.269
where: short stacking energy: -44.754
Base-Backbone interact. energy: -1.019
local terms energy: -63.276024
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -12.181
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: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -143.532865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.532865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.532865 (E_RNA)
where:
Base-Base interactions energy: -85.805
where: short stacking energy: -42.370
Base-Backbone interact. energy: -0.385
local terms energy: -57.342530
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.506
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: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -96.615125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.615125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.615125 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -38.035
Base-Backbone interact. energy: 0.111
local terms energy: -58.690779
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.034
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: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -91.070000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.070000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.070000 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -29.778
Base-Backbone interact. energy: -0.136
local terms energy: -56.366762
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -7.411
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: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -79.446115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.446115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.446115 (E_RNA)
where:
Base-Base interactions energy: -34.473
where: short stacking energy: -24.025
Base-Backbone interact. energy: -0.083
local terms energy: -44.889753
where:
bonds (distance) C4'-P energy: -5.952
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -215.768840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.768840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.768840 (E_RNA)
where:
Base-Base interactions energy: -137.607
where: short stacking energy: -80.502
Base-Backbone interact. energy: 0.431
local terms energy: -78.592590
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -202.554680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.554680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.554680 (E_RNA)
where:
Base-Base interactions energy: -123.935
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.007
local terms energy: -78.612082
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -188.196826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.196826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.196826 (E_RNA)
where:
Base-Base interactions energy: -114.113
where: short stacking energy: -61.489
Base-Backbone interact. energy: 0.223
local terms energy: -74.306736
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -169.354063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.354063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.354063 (E_RNA)
where:
Base-Base interactions energy: -105.787
where: short stacking energy: -54.707
Base-Backbone interact. energy: -0.111
local terms energy: -63.455710
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -154.913878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.913878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.913878 (E_RNA)
where:
Base-Base interactions energy: -89.201
where: short stacking energy: -47.107
Base-Backbone interact. energy: -0.390
local terms energy: -65.323081
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -138.023686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.023686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.023686 (E_RNA)
where:
Base-Base interactions energy: -70.429
where: short stacking energy: -42.687
Base-Backbone interact. energy: -0.267
local terms energy: -67.327994
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -10.756
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: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -153.286312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.286312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.286312 (E_RNA)
where:
Base-Base interactions energy: -93.078
where: short stacking energy: -44.745
Base-Backbone interact. energy: -0.168
local terms energy: -60.040283
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -8.229
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: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -90.934323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.934323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.934323 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.326
local terms energy: -52.726346
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -110.045717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.045717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.045717 (E_RNA)
where:
Base-Base interactions energy: -62.105
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.247
local terms energy: -47.694117
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -80.967642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.967642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.967642 (E_RNA)
where:
Base-Base interactions energy: -28.391
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.039
local terms energy: -52.537120
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -216.710815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.710815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.710815 (E_RNA)
where:
Base-Base interactions energy: -132.986
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.017
local terms energy: -83.707436
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -196.555158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.555158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.555158 (E_RNA)
where:
Base-Base interactions energy: -122.544
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.112
local terms energy: -73.900080
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -202.395448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.395448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.395448 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -67.598
Base-Backbone interact. energy: -0.311
local terms energy: -76.618833
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -18.550
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: 185
Temperature: 1.050000
Total energy: -180.957179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.957179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.957179 (E_RNA)
where:
Base-Base interactions energy: -115.984
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.335
local terms energy: -64.638678
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -177.973631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.973631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.973631 (E_RNA)
where:
Base-Base interactions energy: -103.373
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.917
local terms energy: -73.683864
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -165.697725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.697725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.697725 (E_RNA)
where:
Base-Base interactions energy: -100.171
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.106
local terms energy: -65.419972
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -134.010611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.010611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.010611 (E_RNA)
where:
Base-Base interactions energy: -67.569
where: short stacking energy: -32.100
Base-Backbone interact. energy: -1.169
local terms energy: -65.272407
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -86.037126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.037126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.037126 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.084
local terms energy: -48.738991
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -99.176505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.176505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.176505 (E_RNA)
where:
Base-Base interactions energy: -45.019
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.246
local terms energy: -53.911644
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -7.862
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: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -87.922851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.922851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.922851 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -30.538
Base-Backbone interact. energy: -0.077
local terms energy: -57.302086
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -197.189499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.189499 (E_RNA)
where:
Base-Base interactions energy: -121.436
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.002
local terms energy: -75.751787
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -204.360077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.360077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.360077 (E_RNA)
where:
Base-Base interactions energy: -129.846
where: short stacking energy: -76.170
Base-Backbone interact. energy: -0.002
local terms energy: -74.512606
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -198.597870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.597870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.597870 (E_RNA)
where:
Base-Base interactions energy: -124.326
where: short stacking energy: -69.084
Base-Backbone interact. energy: -0.004
local terms energy: -74.268150
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -166.252744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.252744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.252744 (E_RNA)
where:
Base-Base interactions energy: -95.396
where: short stacking energy: -52.688
Base-Backbone interact. energy: -0.436
local terms energy: -70.420794
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -176.473928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.473928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.473928 (E_RNA)
where:
Base-Base interactions energy: -98.197
where: short stacking energy: -56.202
Base-Backbone interact. energy: 0.036
local terms energy: -78.312708
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -157.818259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.818259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.818259 (E_RNA)
where:
Base-Base interactions energy: -98.984
where: short stacking energy: -46.790
Base-Backbone interact. energy: -0.007
local terms energy: -58.826560
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -104.943532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.943532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.943532 (E_RNA)
where:
Base-Base interactions energy: -48.571
where: short stacking energy: -38.389
Base-Backbone interact. energy: -0.312
local terms energy: -56.060659
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -141.663765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.663765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.663765 (E_RNA)
where:
Base-Base interactions energy: -80.150
where: short stacking energy: -48.302
Base-Backbone interact. energy: 0.860
local terms energy: -62.373640
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -12.598
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: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -90.608094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.608094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.608094 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.808
local terms energy: -54.340927
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -8.766
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: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -89.497137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.497137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.497137 (E_RNA)
where:
Base-Base interactions energy: -48.539
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.157
local terms energy: -40.800620
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -6.772
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: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -205.563707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.563707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.563707 (E_RNA)
where:
Base-Base interactions energy: -134.339
where: short stacking energy: -74.779
Base-Backbone interact. energy: 1.166
local terms energy: -72.390158
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -20.224
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -202.898439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.898439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.898439 (E_RNA)
where:
Base-Base interactions energy: -120.514
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.001
local terms energy: -82.382894
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -20.268
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: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -202.147408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.147408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.147408 (E_RNA)
where:
Base-Base interactions energy: -125.149
where: short stacking energy: -69.308
Base-Backbone interact. energy: -0.055
local terms energy: -76.942816
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -169.160115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.160115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.160115 (E_RNA)
where:
Base-Base interactions energy: -97.983
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.040
local terms energy: -71.137696
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -164.894641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.894641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.894641 (E_RNA)
where:
Base-Base interactions energy: -104.912
where: short stacking energy: -57.836
Base-Backbone interact. energy: 0.057
local terms energy: -60.039935
where:
bonds (distance) C4'-P energy: -6.295
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.159
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: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -145.099908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.099908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.099908 (E_RNA)
where:
Base-Base interactions energy: -81.974
where: short stacking energy: -48.865
Base-Backbone interact. energy: -0.062
local terms energy: -63.063831
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -96.795430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.795430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.795430 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.111
local terms energy: -58.532491
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -144.118551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.118551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.118551 (E_RNA)
where:
Base-Base interactions energy: -82.047
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.119
local terms energy: -61.952449
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -84.397068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.397068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.397068 (E_RNA)
where:
Base-Base interactions energy: -37.265
where: short stacking energy: -33.111
Base-Backbone interact. energy: 0.239
local terms energy: -47.370779
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -79.808086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808086 (E_RNA)
where:
Base-Base interactions energy: -23.204
where: short stacking energy: -23.204
Base-Backbone interact. energy: -0.084
local terms energy: -56.520703
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -8.939
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: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -208.302638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.302638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.302638 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -76.160
Base-Backbone interact. energy: 0.520
local terms energy: -79.726234
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -196.152832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.152832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.152832 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -64.452
Base-Backbone interact. energy: 0.582
local terms energy: -69.403021
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -191.839052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.839052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.839052 (E_RNA)
where:
Base-Base interactions energy: -117.001
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.002
local terms energy: -74.836006
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -182.705246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.705246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.705246 (E_RNA)
where:
Base-Base interactions energy: -109.181
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.103
local terms energy: -73.420836
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -164.146288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.146288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.146288 (E_RNA)
where:
Base-Base interactions energy: -96.727
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.927
local terms energy: -66.492243
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -156.989635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.989635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.989635 (E_RNA)
where:
Base-Base interactions energy: -93.441
where: short stacking energy: -54.807
Base-Backbone interact. energy: 0.879
local terms energy: -64.427472
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -136.899905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.899905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.899905 (E_RNA)
where:
Base-Base interactions energy: -80.312
where: short stacking energy: -46.319
Base-Backbone interact. energy: -0.182
local terms energy: -56.406316
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -6.292
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: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -84.034944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.034944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.034944 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.226
local terms energy: -52.200436
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.908026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.908026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.908026 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -35.459
Base-Backbone interact. energy: -0.120
local terms energy: -49.329765
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -92.476337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.476337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.476337 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.047
local terms energy: -54.219459
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -205.821957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.821957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.821957 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -62.734
Base-Backbone interact. energy: -0.036
local terms energy: -81.387668
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -204.852272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.852272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.852272 (E_RNA)
where:
Base-Base interactions energy: -128.295
where: short stacking energy: -73.045
Base-Backbone interact. energy: 1.595
local terms energy: -78.152774
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -183.296414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.296414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.296414 (E_RNA)
where:
Base-Base interactions energy: -110.484
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.052
local terms energy: -72.761083
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -15.351
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: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -181.466370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.466370 (E_RNA)
where:
Base-Base interactions energy: -115.891
where: short stacking energy: -69.300
Base-Backbone interact. energy: -0.104
local terms energy: -65.472237
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -14.148
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: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -154.086313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.086313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.086313 (E_RNA)
where:
Base-Base interactions energy: -87.975
where: short stacking energy: -44.287
Base-Backbone interact. energy: -0.722
local terms energy: -65.389818
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -151.668147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.668147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.668147 (E_RNA)
where:
Base-Base interactions energy: -89.780
where: short stacking energy: -50.296
Base-Backbone interact. energy: -0.092
local terms energy: -61.796542
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -12.667
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: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -143.057546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.057546 (E_RNA)
where:
Base-Base interactions energy: -78.468
where: short stacking energy: -40.300
Base-Backbone interact. energy: 0.537
local terms energy: -65.126831
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.696
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: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -81.423147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423147 (E_RNA)
where:
Base-Base interactions energy: -21.141
where: short stacking energy: -22.241
Base-Backbone interact. energy: -0.092
local terms energy: -60.190102
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -85.470762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470762 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.532
local terms energy: -49.271136
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -72.854010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.854010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.854010 (E_RNA)
where:
Base-Base interactions energy: -24.228
where: short stacking energy: -21.016
Base-Backbone interact. energy: 2.151
local terms energy: -50.776445
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: 1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -208.290196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.290196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.290196 (E_RNA)
where:
Base-Base interactions energy: -128.741
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.330
local terms energy: -79.219612
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -194.407774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.407774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.407774 (E_RNA)
where:
Base-Base interactions energy: -120.930
where: short stacking energy: -65.441
Base-Backbone interact. energy: -0.001
local terms energy: -73.477280
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -182.884647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.884647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.884647 (E_RNA)
where:
Base-Base interactions energy: -113.747
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.019
local terms energy: -69.118444
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -16.504
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: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -172.817297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.817297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.817297 (E_RNA)
where:
Base-Base interactions energy: -107.617
where: short stacking energy: -55.729
Base-Backbone interact. energy: 0.681
local terms energy: -65.881405
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.184
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: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -162.876976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.876976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.876976 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.127
local terms energy: -64.321304
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -168.416871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.416871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.416871 (E_RNA)
where:
Base-Base interactions energy: -100.434
where: short stacking energy: -57.798
Base-Backbone interact. energy: -0.162
local terms energy: -67.820750
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -12.839
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: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -157.232834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.232834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.232834 (E_RNA)
where:
Base-Base interactions energy: -97.710
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.377
local terms energy: -59.145702
where:
bonds (distance) C4'-P energy: -6.492
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -97.336142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.336142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.336142 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -42.537
Base-Backbone interact. energy: -0.020
local terms energy: -52.154042
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -87.830314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.830314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.830314 (E_RNA)
where:
Base-Base interactions energy: -38.439
where: short stacking energy: -33.362
Base-Backbone interact. energy: -1.052
local terms energy: -48.339540
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -11.877
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: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -86.617455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.617455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.617455 (E_RNA)
where:
Base-Base interactions energy: -39.849
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.034
local terms energy: -46.734204
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -5.269
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: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -217.431796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.431796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.431796 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.012
local terms energy: -82.178915
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -21.176
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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -199.307813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.307813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.307813 (E_RNA)
where:
Base-Base interactions energy: -120.878
where: short stacking energy: -70.145
Base-Backbone interact. energy: -0.031
local terms energy: -78.399431
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -180.093422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093422 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -69.948
Base-Backbone interact. energy: -0.105
local terms energy: -67.573003
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -158.922598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.922598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.922598 (E_RNA)
where:
Base-Base interactions energy: -96.765
where: short stacking energy: -47.888
Base-Backbone interact. energy: -0.176
local terms energy: -61.980973
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -166.306442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.306442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.306442 (E_RNA)
where:
Base-Base interactions energy: -96.936
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.033
local terms energy: -69.336748
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -161.363157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.363157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.363157 (E_RNA)
where:
Base-Base interactions energy: -89.530
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.004
local terms energy: -71.828807
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -123.000957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.000957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.000957 (E_RNA)
where:
Base-Base interactions energy: -69.417
where: short stacking energy: -40.046
Base-Backbone interact. energy: -0.128
local terms energy: -53.456313
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.915
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: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -94.976494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.976494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.976494 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.147
local terms energy: -53.298844
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -98.144938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.144938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.144938 (E_RNA)
where:
Base-Base interactions energy: -43.463
where: short stacking energy: -25.754
Base-Backbone interact. energy: 0.882
local terms energy: -55.564300
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -85.076722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.076722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.076722 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -30.690
Base-Backbone interact. energy: 0.010
local terms energy: -54.396689
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -7.817
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -12.250
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: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -205.406238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.406238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.406238 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -75.215
Base-Backbone interact. energy: -0.002
local terms energy: -80.241631
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -209.166276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166276 (E_RNA)
where:
Base-Base interactions energy: -129.036
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.145
local terms energy: -79.985257
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -170.722683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.722683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.722683 (E_RNA)
where:
Base-Base interactions energy: -103.805
where: short stacking energy: -50.219
Base-Backbone interact. energy: -0.106
local terms energy: -66.811519
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -172.382070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.382070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.382070 (E_RNA)
where:
Base-Base interactions energy: -95.285
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.838
local terms energy: -76.258926
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -11.888
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: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -166.016654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.016654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.016654 (E_RNA)
where:
Base-Base interactions energy: -100.970
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.096
local terms energy: -64.951479
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -168.993019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.993019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.993019 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.768
local terms energy: -60.389095
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -10.649
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: 192
Temperature: 1.200000
Total energy: -128.897114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.897114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.897114 (E_RNA)
where:
Base-Base interactions energy: -76.855
where: short stacking energy: -38.971
Base-Backbone interact. energy: -0.241
local terms energy: -51.800839
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -93.219041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.219041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.219041 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.329
local terms energy: -52.664734
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -107.189348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.189348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.189348 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -35.684
Base-Backbone interact. energy: -0.044
local terms energy: -65.210108
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -75.847473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.847473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.847473 (E_RNA)
where:
Base-Base interactions energy: -22.898
where: short stacking energy: -20.522
Base-Backbone interact. energy: -0.119
local terms energy: -52.830496
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -218.242889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.242889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242889 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -79.481
Base-Backbone interact. energy: 0.192
local terms energy: -87.741955
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -199.853262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.853262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.853262 (E_RNA)
where:
Base-Base interactions energy: -127.663
where: short stacking energy: -71.175
Base-Backbone interact. energy: -0.011
local terms energy: -72.179074
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -183.696632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.696632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.696632 (E_RNA)
where:
Base-Base interactions energy: -109.429
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.242
local terms energy: -74.026282
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -176.566429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.566429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.566429 (E_RNA)
where:
Base-Base interactions energy: -109.633
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.290
local terms energy: -66.643307
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -16.379
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: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -177.508949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.508949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508949 (E_RNA)
where:
Base-Base interactions energy: -107.351
where: short stacking energy: -48.149
Base-Backbone interact. energy: -0.479
local terms energy: -69.678933
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -15.127
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: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -159.953474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.953474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.953474 (E_RNA)
where:
Base-Base interactions energy: -98.681
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.095
local terms energy: -61.177962
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -162.347454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.347454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.347454 (E_RNA)
where:
Base-Base interactions energy: -96.720
where: short stacking energy: -44.357
Base-Backbone interact. energy: -0.016
local terms energy: -65.611118
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -95.401254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.401254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.401254 (E_RNA)
where:
Base-Base interactions energy: -35.305
where: short stacking energy: -35.305
Base-Backbone interact. energy: -0.069
local terms energy: -60.026653
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -85.349922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.349922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.349922 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -35.383
Base-Backbone interact. energy: -0.156
local terms energy: -44.644977
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -80.379099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.379099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.379099 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.035
local terms energy: -49.002991
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -217.981781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.981781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.981781 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.008
local terms energy: -86.014035
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -207.788715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.788715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.788715 (E_RNA)
where:
Base-Base interactions energy: -134.014
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.115
local terms energy: -73.660272
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -21.837
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: 194
Temperature: 1.000000
Total energy: -191.562949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.562949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.562949 (E_RNA)
where:
Base-Base interactions energy: -113.224
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.005
local terms energy: -78.334255
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -176.082868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.082868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.082868 (E_RNA)
where:
Base-Base interactions energy: -106.800
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.011
local terms energy: -69.272193
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.510
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: 5, replica: 6
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -154.791562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.791562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.791562 (E_RNA)
where:
Base-Base interactions energy: -92.909
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.025
local terms energy: -61.857520
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -164.614124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.614124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.614124 (E_RNA)
where:
Base-Base interactions energy: -92.871
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.073
local terms energy: -71.669236
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -158.355019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.355019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.355019 (E_RNA)
where:
Base-Base interactions energy: -102.145
where: short stacking energy: -54.156
Base-Backbone interact. energy: -0.458
local terms energy: -55.751672
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -110.836938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.836938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.836938 (E_RNA)
where:
Base-Base interactions energy: -53.444
where: short stacking energy: -40.287
Base-Backbone interact. energy: 0.115
local terms energy: -57.507205
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -7.257
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: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -83.637960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.637960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.637960 (E_RNA)
where:
Base-Base interactions energy: -30.799
where: short stacking energy: -30.772
Base-Backbone interact. energy: -0.224
local terms energy: -52.614711
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -76.681831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.681831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.681831 (E_RNA)
where:
Base-Base interactions energy: -30.881
where: short stacking energy: -26.794
Base-Backbone interact. energy: -0.242
local terms energy: -45.559594
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -208.900743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.900743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.900743 (E_RNA)
where:
Base-Base interactions energy: -126.450
where: short stacking energy: -80.175
Base-Backbone interact. energy: -0.026
local terms energy: -82.425471
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -190.220222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.220222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.220222 (E_RNA)
where:
Base-Base interactions energy: -114.585
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.101
local terms energy: -75.534135
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -196.471613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.471613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.471613 (E_RNA)
where:
Base-Base interactions energy: -117.603
where: short stacking energy: -69.866
Base-Backbone interact. energy: -0.785
local terms energy: -78.083410
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -161.660415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.660415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.660415 (E_RNA)
where:
Base-Base interactions energy: -94.371
where: short stacking energy: -47.456
Base-Backbone interact. energy: -0.195
local terms energy: -67.094494
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.766
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: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -181.305005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.305005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.305005 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.046
local terms energy: -71.211085
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -156.024647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.024647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.024647 (E_RNA)
where:
Base-Base interactions energy: -89.162
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.162
local terms energy: -66.700432
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -145.645993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.645993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.645993 (E_RNA)
where:
Base-Base interactions energy: -87.370
where: short stacking energy: -46.634
Base-Backbone interact. energy: -0.069
local terms energy: -58.206856
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -12.604
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: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -100.340842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.340842 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -40.115
Base-Backbone interact. energy: -0.147
local terms energy: -60.079379
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -6.462
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: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -79.349592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.349592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.349592 (E_RNA)
where:
Base-Base interactions energy: -25.274
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.068
local terms energy: -54.007207
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: 0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -73.681217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.681217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.681217 (E_RNA)
where:
Base-Base interactions energy: -30.309
where: short stacking energy: -22.146
Base-Backbone interact. energy: -0.101
local terms energy: -43.271764
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -0.693
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -217.091730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.091730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.091730 (E_RNA)
where:
Base-Base interactions energy: -135.655
where: short stacking energy: -80.970
Base-Backbone interact. energy: -0.024
local terms energy: -81.413451
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -187.083441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.083441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.083441 (E_RNA)
where:
Base-Base interactions energy: -109.220
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.001
local terms energy: -77.862644
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.492
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -204.437637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.437637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.437637 (E_RNA)
where:
Base-Base interactions energy: -124.242
where: short stacking energy: -70.779
Base-Backbone interact. energy: -0.002
local terms energy: -80.193578
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -169.083706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.083706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.083706 (E_RNA)
where:
Base-Base interactions energy: -104.348
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.036
local terms energy: -64.699370
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.335
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: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -143.863906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.863906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.863906 (E_RNA)
where:
Base-Base interactions energy: -81.104
where: short stacking energy: -37.989
Base-Backbone interact. energy: -0.074
local terms energy: -62.685510
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -163.453334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.453334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.453334 (E_RNA)
where:
Base-Base interactions energy: -92.912
where: short stacking energy: -54.966
Base-Backbone interact. energy: -0.042
local terms energy: -70.499792
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -142.231007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.231007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.231007 (E_RNA)
where:
Base-Base interactions energy: -79.527
where: short stacking energy: -46.102
Base-Backbone interact. energy: -0.114
local terms energy: -62.590066
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -100.172494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.172494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.172494 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -36.614
Base-Backbone interact. energy: -0.036
local terms energy: -63.523123
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -97.666593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.666593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.666593 (E_RNA)
where:
Base-Base interactions energy: -39.836
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.087
local terms energy: -57.743622
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -84.646679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.646679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.646679 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -34.456
Base-Backbone interact. energy: 0.521
local terms energy: -50.711115
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -216.951405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.951405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.951405 (E_RNA)
where:
Base-Base interactions energy: -135.636
where: short stacking energy: -79.842
Base-Backbone interact. energy: -0.032
local terms energy: -81.283749
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -21.448
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: 197
Temperature: 0.950000
Total energy: -191.130127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.130127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130127 (E_RNA)
where:
Base-Base interactions energy: -111.686
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.004
local terms energy: -79.440287
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -188.798634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.798634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.798634 (E_RNA)
where:
Base-Base interactions energy: -115.858
where: short stacking energy: -75.462
Base-Backbone interact. energy: 0.497
local terms energy: -73.438319
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -164.657120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.657120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.657120 (E_RNA)
where:
Base-Base interactions energy: -100.290
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.037
local terms energy: -64.329251
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -13.865
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: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -164.720381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.720381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.720381 (E_RNA)
where:
Base-Base interactions energy: -103.524
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.033
local terms energy: -61.162594
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -155.113895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.113895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.113895 (E_RNA)
where:
Base-Base interactions energy: -85.879
where: short stacking energy: -47.212
Base-Backbone interact. energy: 0.522
local terms energy: -69.756658
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -158.661658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.661658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.661658 (E_RNA)
where:
Base-Base interactions energy: -95.645
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.005
local terms energy: -63.011789
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -99.855663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.855663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.855663 (E_RNA)
where:
Base-Base interactions energy: -46.157
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.039
local terms energy: -53.659673
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -93.206276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.206276 (E_RNA)
where:
Base-Base interactions energy: -32.062
where: short stacking energy: -32.062
Base-Backbone interact. energy: -0.127
local terms energy: -61.016477
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -84.340063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.340063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.340063 (E_RNA)
where:
Base-Base interactions energy: -34.373
where: short stacking energy: -34.373
Base-Backbone interact. energy: -0.229
local terms energy: -49.738162
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -208.336875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.336875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.336875 (E_RNA)
where:
Base-Base interactions energy: -129.160
where: short stacking energy: -72.980
Base-Backbone interact. energy: 0.360
local terms energy: -79.536920
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -201.158951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.158951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.158951 (E_RNA)
where:
Base-Base interactions energy: -121.296
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.002
local terms energy: -79.861152
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -215.150972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.150972 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.575
local terms energy: -78.783188
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -145.978616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.978616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.978616 (E_RNA)
where:
Base-Base interactions energy: -83.273
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.592
local terms energy: -62.114034
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -9.284
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: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -168.052279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.052279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.052279 (E_RNA)
where:
Base-Base interactions energy: -106.016
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.416
local terms energy: -61.620603
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -167.555312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.555312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.555312 (E_RNA)
where:
Base-Base interactions energy: -97.764
where: short stacking energy: -49.334
Base-Backbone interact. energy: -0.604
local terms energy: -69.187070
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -160.099659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.099659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.099659 (E_RNA)
where:
Base-Base interactions energy: -90.914
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.588
local terms energy: -68.597743
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -104.772154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772154 (E_RNA)
where:
Base-Base interactions energy: -43.359
where: short stacking energy: -29.273
Base-Backbone interact. energy: -0.092
local terms energy: -61.321317
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.066
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: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -86.664302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664302 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -31.571
Base-Backbone interact. energy: 0.701
local terms energy: -47.482864
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -81.420649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.420649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.420649 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -33.699
Base-Backbone interact. energy: -0.416
local terms energy: -41.662427
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -222.515373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.515373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.515373 (E_RNA)
where:
Base-Base interactions energy: -142.741
where: short stacking energy: -83.428
Base-Backbone interact. energy: -0.045
local terms energy: -79.728952
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -206.056594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056594 (E_RNA)
where:
Base-Base interactions energy: -127.867
where: short stacking energy: -72.633
Base-Backbone interact. energy: -0.038
local terms energy: -78.152077
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -196.254302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.254302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.254302 (E_RNA)
where:
Base-Base interactions energy: -118.078
where: short stacking energy: -68.385
Base-Backbone interact. energy: -0.000
local terms energy: -78.176323
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -168.118835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.118835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.118835 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.480
local terms energy: -61.496951
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: 0.776
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: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -145.441718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.441718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.441718 (E_RNA)
where:
Base-Base interactions energy: -78.833
where: short stacking energy: -34.414
Base-Backbone interact. energy: -0.283
local terms energy: -66.326522
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -8.574
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: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -152.326010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.326010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.326010 (E_RNA)
where:
Base-Base interactions energy: -93.436
where: short stacking energy: -55.163
Base-Backbone interact. energy: 0.775
local terms energy: -59.664701
where:
bonds (distance) C4'-P energy: -8.043
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -149.988708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.988708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.988708 (E_RNA)
where:
Base-Base interactions energy: -92.083
where: short stacking energy: -51.762
Base-Backbone interact. energy: 1.620
local terms energy: -59.525734
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -90.309997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309997 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.010
local terms energy: -61.947231
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -81.799765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799765 (E_RNA)
where:
Base-Base interactions energy: -27.879
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.193
local terms energy: -53.727925
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.739
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: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -77.654067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.654067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.654067 (E_RNA)
where:
Base-Base interactions energy: -22.938
where: short stacking energy: -22.938
Base-Backbone interact. energy: -0.102
local terms energy: -54.614418
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -221.997412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.997412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.997412 (E_RNA)
where:
Base-Base interactions energy: -141.308
where: short stacking energy: -81.503
Base-Backbone interact. energy: -0.043
local terms energy: -80.645981
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -212.318161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318161 (E_RNA)
where:
Base-Base interactions energy: -126.716
where: short stacking energy: -70.402
Base-Backbone interact. energy: 0.396
local terms energy: -85.997811
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -179.718285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.718285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.718285 (E_RNA)
where:
Base-Base interactions energy: -116.308
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.178
local terms energy: -63.232507
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -171.335791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.335791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.335791 (E_RNA)
where:
Base-Base interactions energy: -109.940
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.079
local terms energy: -61.316535
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -5.179
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: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -165.418324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.418324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.418324 (E_RNA)
where:
Base-Base interactions energy: -89.225
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.018
local terms energy: -76.175191
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -16.133
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -160.679361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.679361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.679361 (E_RNA)
where:
Base-Base interactions energy: -87.825
where: short stacking energy: -45.396
Base-Backbone interact. energy: -0.176
local terms energy: -72.678090
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -144.965415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.965415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.965415 (E_RNA)
where:
Base-Base interactions energy: -79.113
where: short stacking energy: -48.896
Base-Backbone interact. energy: -0.094
local terms energy: -65.758850
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -13.756
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: 200
Temperature: 1.250000
Total energy: -89.513173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.513173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.513173 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -38.515
Base-Backbone interact. energy: -0.550
local terms energy: -46.196994
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -9.785
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: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.859643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.859643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.859643 (E_RNA)
where:
Base-Base interactions energy: -26.866
where: short stacking energy: -26.866
Base-Backbone interact. energy: -0.069
local terms energy: -55.924206
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -7.677
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -91.758363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.758363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.758363 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.031
local terms energy: -61.174946
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.995
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: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -220.421499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.421499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.421499 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -76.607
Base-Backbone interact. energy: -1.121
local terms energy: -86.285331
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -203.327605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.327605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.327605 (E_RNA)
where:
Base-Base interactions energy: -123.549
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.035
local terms energy: -79.743821
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -181.467870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.467870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.467870 (E_RNA)
where:
Base-Base interactions energy: -119.016
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.239
local terms energy: -62.213645
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -191.306352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.306352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.306352 (E_RNA)
where:
Base-Base interactions energy: -112.207
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.028
local terms energy: -79.071137
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -167.927949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.927949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.927949 (E_RNA)
where:
Base-Base interactions energy: -98.379
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.839
local terms energy: -68.710096
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -154.035204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.035204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.035204 (E_RNA)
where:
Base-Base interactions energy: -88.239
where: short stacking energy: -43.023
Base-Backbone interact. energy: -0.163
local terms energy: -65.632458
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -141.051641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.051641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.051641 (E_RNA)
where:
Base-Base interactions energy: -84.918
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.263
local terms energy: -55.870784
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -88.439098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.439098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.439098 (E_RNA)
where:
Base-Base interactions energy: -41.307
where: short stacking energy: -31.528
Base-Backbone interact. energy: 0.152
local terms energy: -47.284577
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -5.856
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: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -87.083615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.083615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.083615 (E_RNA)
where:
Base-Base interactions energy: -34.173
where: short stacking energy: -34.173
Base-Backbone interact. energy: 0.797
local terms energy: -53.707638
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -78.951553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.951553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.951553 (E_RNA)
where:
Base-Base interactions energy: -24.263
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.273
local terms energy: -54.415512
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -6.506
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: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -224.328417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.328417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.328417 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -87.479
Base-Backbone interact. energy: -3.094
local terms energy: -78.624660
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -23.444
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: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -208.606114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.606114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.606114 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -75.426
Base-Backbone interact. energy: -0.001
local terms energy: -84.792789
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -25.011
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: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -181.640000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.640000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.640000 (E_RNA)
where:
Base-Base interactions energy: -107.757
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.994
local terms energy: -72.888626
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -17.634
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: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -188.810982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.810982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.810982 (E_RNA)
where:
Base-Base interactions energy: -113.654
where: short stacking energy: -59.561
Base-Backbone interact. energy: -1.053
local terms energy: -74.103858
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -167.704025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.704025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.704025 (E_RNA)
where:
Base-Base interactions energy: -101.377
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.405
local terms energy: -65.922184
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -172.636148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.636148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.636148 (E_RNA)
where:
Base-Base interactions energy: -98.520
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.578
local terms energy: -73.538175
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -137.612351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.612351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.612351 (E_RNA)
where:
Base-Base interactions energy: -76.856
where: short stacking energy: -44.208
Base-Backbone interact. energy: -0.190
local terms energy: -60.566308
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -10.293
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: 202
Temperature: 1.250000
Total energy: -97.516804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516804 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -32.057
Base-Backbone interact. energy: -0.103
local terms energy: -65.357690
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -91.268176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.268176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.268176 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.118
local terms energy: -57.396112
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -74.555766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.555766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.555766 (E_RNA)
where:
Base-Base interactions energy: -24.593
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.186
local terms energy: -49.776808
where:
bonds (distance) C4'-P energy: -5.864
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -220.203684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.203684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.203684 (E_RNA)
where:
Base-Base interactions energy: -133.855
where: short stacking energy: -79.731
Base-Backbone interact. energy: -0.001
local terms energy: -86.347366
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -228.082718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.082718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.082718 (E_RNA)
where:
Base-Base interactions energy: -141.558
where: short stacking energy: -86.870
Base-Backbone interact. energy: -1.185
local terms energy: -85.339929
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -191.627491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.627491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.627491 (E_RNA)
where:
Base-Base interactions energy: -111.892
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.004
local terms energy: -79.731118
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -175.100576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.100576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.100576 (E_RNA)
where:
Base-Base interactions energy: -103.003
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.027
local terms energy: -72.070365
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -169.026920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.026920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.026920 (E_RNA)
where:
Base-Base interactions energy: -105.857
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.300
local terms energy: -62.870367
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -177.911738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.911738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.911738 (E_RNA)
where:
Base-Base interactions energy: -102.095
where: short stacking energy: -61.065
Base-Backbone interact. energy: 0.166
local terms energy: -75.983253
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -132.231149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.231149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.231149 (E_RNA)
where:
Base-Base interactions energy: -75.092
where: short stacking energy: -45.707
Base-Backbone interact. energy: 0.022
local terms energy: -57.160548
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -93.617720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.617720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.617720 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.156
local terms energy: -52.317081
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -86.092405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092405 (E_RNA)
where:
Base-Base interactions energy: -29.991
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.132
local terms energy: -55.969960
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -85.229273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.229273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.229273 (E_RNA)
where:
Base-Base interactions energy: -31.499
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.117
local terms energy: -53.613596
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -11.631
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: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -216.324192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.324192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.324192 (E_RNA)
where:
Base-Base interactions energy: -133.861
where: short stacking energy: -80.157
Base-Backbone interact. energy: 0.057
local terms energy: -82.520446
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -215.979992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.979992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.979992 (E_RNA)
where:
Base-Base interactions energy: -136.474
where: short stacking energy: -74.732
Base-Backbone interact. energy: -0.391
local terms energy: -79.114209
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -175.254648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.254648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.254648 (E_RNA)
where:
Base-Base interactions energy: -101.031
where: short stacking energy: -57.137
Base-Backbone interact. energy: -0.152
local terms energy: -74.071525
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -7.838
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: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -180.397564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.397564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.397564 (E_RNA)
where:
Base-Base interactions energy: -107.117
where: short stacking energy: -59.290
Base-Backbone interact. energy: -0.116
local terms energy: -73.164599
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -182.783685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.783685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.783685 (E_RNA)
where:
Base-Base interactions energy: -106.663
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.000
local terms energy: -76.120354
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -19.349
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: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -170.085573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.085573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.085573 (E_RNA)
where:
Base-Base interactions energy: -98.560
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.009
local terms energy: -71.517014
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -91.822427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.822427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.822427 (E_RNA)
where:
Base-Base interactions energy: -33.794
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.027
local terms energy: -58.002073
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -9.261
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: 204
Temperature: 1.250000
Total energy: -139.289287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.289287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.289287 (E_RNA)
where:
Base-Base interactions energy: -79.444
where: short stacking energy: -39.393
Base-Backbone interact. energy: -0.179
local terms energy: -59.666159
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -78.847710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847710 (E_RNA)
where:
Base-Base interactions energy: -31.253
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.056
local terms energy: -47.538597
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -97.341571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.341571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.341571 (E_RNA)
where:
Base-Base interactions energy: -46.153
where: short stacking energy: -42.000
Base-Backbone interact. energy: -0.060
local terms energy: -51.128565
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -5.898
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -220.126769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.126769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.126769 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -80.866
Base-Backbone interact. energy: -0.003
local terms energy: -84.745018
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -24.212
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: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -216.183278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.183278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.183278 (E_RNA)
where:
Base-Base interactions energy: -128.360
where: short stacking energy: -77.382
Base-Backbone interact. energy: -1.374
local terms energy: -86.448769
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -166.198158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.198158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.198158 (E_RNA)
where:
Base-Base interactions energy: -91.266
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.073
local terms energy: -74.859195
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -183.889433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.889433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.889433 (E_RNA)
where:
Base-Base interactions energy: -115.056
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.137
local terms energy: -68.696376
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -156.853289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.853289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.853289 (E_RNA)
where:
Base-Base interactions energy: -89.931
where: short stacking energy: -42.498
Base-Backbone interact. energy: -0.054
local terms energy: -66.868173
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -163.290823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.290823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.290823 (E_RNA)
where:
Base-Base interactions energy: -95.253
where: short stacking energy: -44.067
Base-Backbone interact. energy: -0.618
local terms energy: -67.420385
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -92.499331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499331 (E_RNA)
where:
Base-Base interactions energy: -36.340
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.315
local terms energy: -55.844281
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -136.294044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.294044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.294044 (E_RNA)
where:
Base-Base interactions energy: -74.864
where: short stacking energy: -39.262
Base-Backbone interact. energy: -0.209
local terms energy: -61.221362
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -10.436
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: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -80.118730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.118730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.118730 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.035
local terms energy: -49.039922
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -89.076476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.076476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.076476 (E_RNA)
where:
Base-Base interactions energy: -44.080
where: short stacking energy: -41.805
Base-Backbone interact. energy: -0.130
local terms energy: -44.866040
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -217.440415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.440415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.440415 (E_RNA)
where:
Base-Base interactions energy: -134.478
where: short stacking energy: -75.960
Base-Backbone interact. energy: -0.097
local terms energy: -82.864884
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -219.620866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.620866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.620866 (E_RNA)
where:
Base-Base interactions energy: -134.658
where: short stacking energy: -79.968
Base-Backbone interact. energy: -0.044
local terms energy: -84.918698
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -186.239139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.239139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.239139 (E_RNA)
where:
Base-Base interactions energy: -112.997
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.086
local terms energy: -73.155933
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -154.713925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.713925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.713925 (E_RNA)
where:
Base-Base interactions energy: -88.620
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.008
local terms energy: -66.085801
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -180.071354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.071354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.071354 (E_RNA)
where:
Base-Base interactions energy: -108.376
where: short stacking energy: -58.981
Base-Backbone interact. energy: -0.057
local terms energy: -71.638384
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -16.848
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: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -143.507270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.507270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.507270 (E_RNA)
where:
Base-Base interactions energy: -79.491
where: short stacking energy: -45.113
Base-Backbone interact. energy: 1.087
local terms energy: -65.103475
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -10.393
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -137.420649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.420649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.420649 (E_RNA)
where:
Base-Base interactions energy: -73.416
where: short stacking energy: -41.250
Base-Backbone interact. energy: -0.019
local terms energy: -63.985526
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -85.406196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406196 (E_RNA)
where:
Base-Base interactions energy: -32.353
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.030
local terms energy: -53.023198
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -91.996722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.996722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.996722 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -32.954
Base-Backbone interact. energy: -0.022
local terms energy: -58.852705
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.248
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: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -82.104454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104454 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -31.802
Base-Backbone interact. energy: 0.417
local terms energy: -50.719431
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -206.707689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.707689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.707689 (E_RNA)
where:
Base-Base interactions energy: -128.680
where: short stacking energy: -79.083
Base-Backbone interact. energy: -0.001
local terms energy: -78.026495
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -213.745442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.745442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.745442 (E_RNA)
where:
Base-Base interactions energy: -133.984
where: short stacking energy: -79.521
Base-Backbone interact. energy: -0.001
local terms energy: -79.760692
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -22.726
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: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -178.263808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.263808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.263808 (E_RNA)
where:
Base-Base interactions energy: -106.990
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.027
local terms energy: -71.246950
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -170.531263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.531263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.531263 (E_RNA)
where:
Base-Base interactions energy: -100.981
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.060
local terms energy: -69.490922
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -155.598802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.598802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.598802 (E_RNA)
where:
Base-Base interactions energy: -84.809
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.081
local terms energy: -70.708988
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -7.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -144.305175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.305175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.305175 (E_RNA)
where:
Base-Base interactions energy: -71.880
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.035
local terms energy: -72.390521
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -147.491381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.491381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.491381 (E_RNA)
where:
Base-Base interactions energy: -81.438
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.247
local terms energy: -65.806795
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -10.539
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: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -81.557759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.557759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.557759 (E_RNA)
where:
Base-Base interactions energy: -33.598
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.036
local terms energy: -47.923632
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -109.039497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.039497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.039497 (E_RNA)
where:
Base-Base interactions energy: -47.865
where: short stacking energy: -39.504
Base-Backbone interact. energy: -0.198
local terms energy: -60.977009
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -88.216962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.216962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.216962 (E_RNA)
where:
Base-Base interactions energy: -29.527
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.047
local terms energy: -58.643481
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -217.345772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.345772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.345772 (E_RNA)
where:
Base-Base interactions energy: -138.082
where: short stacking energy: -78.994
Base-Backbone interact. energy: 0.357
local terms energy: -79.620484
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -20.321
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: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -210.488221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.488221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.488221 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.001
local terms energy: -77.498080
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -176.482615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.482615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.482615 (E_RNA)
where:
Base-Base interactions energy: -114.772
where: short stacking energy: -64.758
Base-Backbone interact. energy: 1.590
local terms energy: -63.300358
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -167.554452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.554452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.554452 (E_RNA)
where:
Base-Base interactions energy: -109.875
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.001
local terms energy: -57.678691
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -14.699
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -155.469977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.469977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.469977 (E_RNA)
where:
Base-Base interactions energy: -91.915
where: short stacking energy: -56.508
Base-Backbone interact. energy: -0.058
local terms energy: -63.497010
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -144.333849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.333849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.333849 (E_RNA)
where:
Base-Base interactions energy: -80.841
where: short stacking energy: -42.594
Base-Backbone interact. energy: -0.027
local terms energy: -63.465281
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -97.927130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927130 (E_RNA)
where:
Base-Base interactions energy: -39.234
where: short stacking energy: -39.234
Base-Backbone interact. energy: -0.094
local terms energy: -58.599143
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -133.521429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.521429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.521429 (E_RNA)
where:
Base-Base interactions energy: -74.908
where: short stacking energy: -44.720
Base-Backbone interact. energy: 0.941
local terms energy: -59.554594
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -94.162601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.162601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.162601 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.207
local terms energy: -44.504059
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -82.876673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876673 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -27.985
Base-Backbone interact. energy: -0.091
local terms energy: -53.189679
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -214.316029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.316029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.316029 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -80.106
Base-Backbone interact. energy: -0.064
local terms energy: -81.613008
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -205.105500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.105500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.105500 (E_RNA)
where:
Base-Base interactions energy: -133.375
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.051
local terms energy: -71.679206
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -189.362474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.362474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.362474 (E_RNA)
where:
Base-Base interactions energy: -116.759
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.130
local terms energy: -72.474154
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -169.743728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.743728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.743728 (E_RNA)
where:
Base-Base interactions energy: -103.848
where: short stacking energy: -56.251
Base-Backbone interact. energy: -0.531
local terms energy: -65.364696
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -182.245885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.245885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.245885 (E_RNA)
where:
Base-Base interactions energy: -107.284
where: short stacking energy: -69.511
Base-Backbone interact. energy: 0.098
local terms energy: -75.060188
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -143.738553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.738553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.738553 (E_RNA)
where:
Base-Base interactions energy: -80.168
where: short stacking energy: -43.593
Base-Backbone interact. energy: -0.178
local terms energy: -63.392753
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -91.555070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.555070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.555070 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -35.260
Base-Backbone interact. energy: 0.271
local terms energy: -56.566110
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -93.729479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729479 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.044
local terms energy: -55.950577
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -82.117998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.117998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.117998 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -26.150
Base-Backbone interact. energy: -0.202
local terms energy: -48.175867
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -86.002275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002275 (E_RNA)
where:
Base-Base interactions energy: -36.869
where: short stacking energy: -25.719
Base-Backbone interact. energy: -0.124
local terms energy: -49.009321
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: 1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -224.682521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.682521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.682521 (E_RNA)
where:
Base-Base interactions energy: -146.232
where: short stacking energy: -79.503
Base-Backbone interact. energy: 0.957
local terms energy: -79.407336
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -211.705921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.705921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.705921 (E_RNA)
where:
Base-Base interactions energy: -125.198
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.001
local terms energy: -86.506465
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -24.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -190.215786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.215786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.215786 (E_RNA)
where:
Base-Base interactions energy: -117.089
where: short stacking energy: -73.927
Base-Backbone interact. energy: 0.774
local terms energy: -73.900677
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.483
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: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -168.892496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.892496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.892496 (E_RNA)
where:
Base-Base interactions energy: -99.218
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.064
local terms energy: -69.610595
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -17.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -173.485919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.485919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.485919 (E_RNA)
where:
Base-Base interactions energy: -103.956
where: short stacking energy: -63.292
Base-Backbone interact. energy: 1.248
local terms energy: -70.777954
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -15.663
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: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -158.251231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.251231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.251231 (E_RNA)
where:
Base-Base interactions energy: -91.537
where: short stacking energy: -46.491
Base-Backbone interact. energy: -0.244
local terms energy: -66.469937
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.912
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: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -95.677915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.677915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.677915 (E_RNA)
where:
Base-Base interactions energy: -42.207
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.065
local terms energy: -53.406458
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -112.813058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.813058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.813058 (E_RNA)
where:
Base-Base interactions energy: -57.582
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.126
local terms energy: -55.104984
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -11.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -84.230193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.230193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.230193 (E_RNA)
where:
Base-Base interactions energy: -25.769
where: short stacking energy: -25.769
Base-Backbone interact. energy: -0.024
local terms energy: -58.437131
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -83.109719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.109719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.109719 (E_RNA)
where:
Base-Base interactions energy: -26.837
where: short stacking energy: -26.837
Base-Backbone interact. energy: -0.121
local terms energy: -56.151230
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.881
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: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -224.632012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.632012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.632012 (E_RNA)
where:
Base-Base interactions energy: -140.814
where: short stacking energy: -85.722
Base-Backbone interact. energy: -0.000
local terms energy: -83.817532
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -189.161345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.161345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.161345 (E_RNA)
where:
Base-Base interactions energy: -117.517
where: short stacking energy: -65.069
Base-Backbone interact. energy: 0.273
local terms energy: -71.917348
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -203.620636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.620636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.620636 (E_RNA)
where:
Base-Base interactions energy: -130.395
where: short stacking energy: -77.280
Base-Backbone interact. energy: -0.036
local terms energy: -73.190389
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -165.044397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.044397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.044397 (E_RNA)
where:
Base-Base interactions energy: -92.772
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.070
local terms energy: -72.202381
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -14.108
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: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -153.697557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.697557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.697557 (E_RNA)
where:
Base-Base interactions energy: -94.598
where: short stacking energy: -51.884
Base-Backbone interact. energy: -0.733
local terms energy: -58.365918
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -168.546329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.546329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.546329 (E_RNA)
where:
Base-Base interactions energy: -101.792
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.703
local terms energy: -66.051590
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -89.203730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203730 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -30.538
Base-Backbone interact. energy: -0.359
local terms energy: -55.472756
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -9.716
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: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -99.438769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.438769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.438769 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.283
local terms energy: -62.962720
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -10.167
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: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -90.209059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.209059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.209059 (E_RNA)
where:
Base-Base interactions energy: -35.569
where: short stacking energy: -28.757
Base-Backbone interact. energy: -0.157
local terms energy: -54.482325
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -95.009853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.009853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.009853 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.286
local terms energy: -56.808827
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -218.367664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.367664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.367664 (E_RNA)
where:
Base-Base interactions energy: -135.303
where: short stacking energy: -75.601
Base-Backbone interact. energy: -0.120
local terms energy: -82.944656
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -20.169
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -192.187292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.187292 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.222
local terms energy: -67.756742
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -201.914205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914205 (E_RNA)
where:
Base-Base interactions energy: -121.691
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.002
local terms energy: -80.221241
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -167.198287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.198287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.198287 (E_RNA)
where:
Base-Base interactions energy: -95.840
where: short stacking energy: -57.417
Base-Backbone interact. energy: -0.006
local terms energy: -71.351569
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -8.799
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: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -171.116320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.116320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.116320 (E_RNA)
where:
Base-Base interactions energy: -104.013
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.111
local terms energy: -66.992384
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -9.664
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: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -162.104635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.104635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.104635 (E_RNA)
where:
Base-Base interactions energy: -91.793
where: short stacking energy: -54.479
Base-Backbone interact. energy: -0.014
local terms energy: -70.298112
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -89.495534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.495534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.495534 (E_RNA)
where:
Base-Base interactions energy: -40.577
where: short stacking energy: -30.548
Base-Backbone interact. energy: 0.395
local terms energy: -49.314265
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -1.819
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -92.397791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.397791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.397791 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -32.547
Base-Backbone interact. energy: -0.161
local terms energy: -57.943855
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -97.753018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.753018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.753018 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -38.308
Base-Backbone interact. energy: -0.063
local terms energy: -59.382693
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.450
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: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -92.371856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.371856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.371856 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -32.487
Base-Backbone interact. energy: -0.006
local terms energy: -55.841829
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -222.716565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.716565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.716565 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -73.870
Base-Backbone interact. energy: -0.001
local terms energy: -90.765432
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -218.901846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.901846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.901846 (E_RNA)
where:
Base-Base interactions energy: -138.236
where: short stacking energy: -81.658
Base-Backbone interact. energy: -0.002
local terms energy: -80.663693
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -185.725401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.725401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.725401 (E_RNA)
where:
Base-Base interactions energy: -109.700
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.010
local terms energy: -76.015117
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -173.244466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.244466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.244466 (E_RNA)
where:
Base-Base interactions energy: -101.933
where: short stacking energy: -52.704
Base-Backbone interact. energy: 0.432
local terms energy: -71.742972
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -15.567
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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -147.009662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.009662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.009662 (E_RNA)
where:
Base-Base interactions energy: -85.122
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.564
local terms energy: -61.323959
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.575
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: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -162.877139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.877139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.877139 (E_RNA)
where:
Base-Base interactions energy: -99.252
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.275
local terms energy: -63.349490
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -127.507261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.507261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.507261 (E_RNA)
where:
Base-Base interactions energy: -71.888
where: short stacking energy: -33.395
Base-Backbone interact. energy: -0.994
local terms energy: -54.625578
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -115.962358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.962358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.962358 (E_RNA)
where:
Base-Base interactions energy: -59.158
where: short stacking energy: -35.117
Base-Backbone interact. energy: -1.056
local terms energy: -55.748989
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.199
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: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -79.121203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.121203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.121203 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -31.456
Base-Backbone interact. energy: 1.868
local terms energy: -49.534081
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -7.424
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -80.631939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.631939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.631939 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -37.565
Base-Backbone interact. energy: 0.344
local terms energy: -39.115785
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -6.685
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: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -221.982801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.982801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.982801 (E_RNA)
where:
Base-Base interactions energy: -133.158
where: short stacking energy: -81.000
Base-Backbone interact. energy: -0.035
local terms energy: -88.789988
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -217.939729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.939729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.939729 (E_RNA)
where:
Base-Base interactions energy: -134.473
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.038
local terms energy: -83.429334
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -192.868099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.868099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.868099 (E_RNA)
where:
Base-Base interactions energy: -123.733
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.377
local terms energy: -68.757445
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -167.963913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.963913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.963913 (E_RNA)
where:
Base-Base interactions energy: -101.577
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.060
local terms energy: -66.327101
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -163.972550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.972550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.972550 (E_RNA)
where:
Base-Base interactions energy: -95.332
where: short stacking energy: -48.206
Base-Backbone interact. energy: -0.030
local terms energy: -68.610815
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -135.650117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.650117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.650117 (E_RNA)
where:
Base-Base interactions energy: -81.002
where: short stacking energy: -45.012
Base-Backbone interact. energy: -0.025
local terms energy: -54.623453
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -2.842
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: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -134.655129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.655129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.655129 (E_RNA)
where:
Base-Base interactions energy: -74.408
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.083
local terms energy: -60.164480
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -112.112896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.112896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.112896 (E_RNA)
where:
Base-Base interactions energy: -50.906
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.186
local terms energy: -61.021238
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -84.913483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.913483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.913483 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.100
local terms energy: -52.478262
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -3.699
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: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -75.402071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.402071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.402071 (E_RNA)
where:
Base-Base interactions energy: -23.060
where: short stacking energy: -20.070
Base-Backbone interact. energy: -0.111
local terms energy: -52.230210
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -217.403347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.403347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.403347 (E_RNA)
where:
Base-Base interactions energy: -132.343
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.003
local terms energy: -85.056820
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -212.159047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.159047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.159047 (E_RNA)
where:
Base-Base interactions energy: -134.179
where: short stacking energy: -81.812
Base-Backbone interact. energy: -0.027
local terms energy: -77.952565
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -188.011181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.011181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.011181 (E_RNA)
where:
Base-Base interactions energy: -117.563
where: short stacking energy: -62.578
Base-Backbone interact. energy: -0.153
local terms energy: -70.295587
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -171.572237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.572237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.572237 (E_RNA)
where:
Base-Base interactions energy: -110.719
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.017
local terms energy: -60.835454
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -5.638
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: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -168.706650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706650 (E_RNA)
where:
Base-Base interactions energy: -101.032
where: short stacking energy: -39.365
Base-Backbone interact. energy: -0.207
local terms energy: -67.467757
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -11.825
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: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -142.564090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.564090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.564090 (E_RNA)
where:
Base-Base interactions energy: -84.840
where: short stacking energy: -40.078
Base-Backbone interact. energy: -0.376
local terms energy: -57.348133
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -6.307
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: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -106.312845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.312845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.312845 (E_RNA)
where:
Base-Base interactions energy: -49.671
where: short stacking energy: -27.999
Base-Backbone interact. energy: -0.136
local terms energy: -56.505267
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -3.586
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: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -97.649740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.649740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.649740 (E_RNA)
where:
Base-Base interactions energy: -43.189
where: short stacking energy: -43.189
Base-Backbone interact. energy: -0.334
local terms energy: -54.127034
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -76.497338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.497338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.497338 (E_RNA)
where:
Base-Base interactions energy: -24.647
where: short stacking energy: -24.647
Base-Backbone interact. energy: -0.135
local terms energy: -51.715269
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: 1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -74.245079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.245079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.245079 (E_RNA)
where:
Base-Base interactions energy: -24.572
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.384
local terms energy: -49.289825
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -219.381421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.381421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.381421 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.005
local terms energy: -80.398314
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -21.277
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: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -202.172084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.172084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.172084 (E_RNA)
where:
Base-Base interactions energy: -124.587
where: short stacking energy: -68.816
Base-Backbone interact. energy: 0.987
local terms energy: -78.572704
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -200.250422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.250422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.250422 (E_RNA)
where:
Base-Base interactions energy: -129.529
where: short stacking energy: -77.359
Base-Backbone interact. energy: 1.548
local terms energy: -72.269283
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -178.084760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.084760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.084760 (E_RNA)
where:
Base-Base interactions energy: -112.606
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.020
local terms energy: -65.458199
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -12.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -178.768506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.768506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.768506 (E_RNA)
where:
Base-Base interactions energy: -113.633
where: short stacking energy: -55.769
Base-Backbone interact. energy: -0.143
local terms energy: -64.992037
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -6.140
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: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -151.379537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.379537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.379537 (E_RNA)
where:
Base-Base interactions energy: -88.374
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.256
local terms energy: -62.749982
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -110.181824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.181824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.181824 (E_RNA)
where:
Base-Base interactions energy: -49.248
where: short stacking energy: -49.005
Base-Backbone interact. energy: -0.122
local terms energy: -60.811870
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -94.251452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.251452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.251452 (E_RNA)
where:
Base-Base interactions energy: -37.698
where: short stacking energy: -37.698
Base-Backbone interact. energy: -0.051
local terms energy: -56.502085
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -87.245964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.245964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.245964 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.198
local terms energy: -57.464320
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -9.450
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: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -77.653715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.653715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.653715 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.599
local terms energy: -48.761036
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -234.061200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.061200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.061200 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -87.392
Base-Backbone interact. energy: -0.040
local terms energy: -89.725577
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -215.526174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.526174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.526174 (E_RNA)
where:
Base-Base interactions energy: -130.805
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.050
local terms energy: -84.671568
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -24.679
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -196.466229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.466229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.466229 (E_RNA)
where:
Base-Base interactions energy: -115.330
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.526
local terms energy: -80.610510
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -186.387556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.387556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.387556 (E_RNA)
where:
Base-Base interactions energy: -114.362
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.718
local terms energy: -71.307767
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -162.574110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.574110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.574110 (E_RNA)
where:
Base-Base interactions energy: -95.536
where: short stacking energy: -48.223
Base-Backbone interact. energy: -0.072
local terms energy: -66.965383
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -7.435
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: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -163.700596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.700596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.700596 (E_RNA)
where:
Base-Base interactions energy: -93.088
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.159
local terms energy: -70.452647
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -104.267352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.267352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.267352 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -36.715
Base-Backbone interact. energy: -0.168
local terms energy: -62.874284
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -111.160717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.160717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.160717 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -38.193
Base-Backbone interact. energy: -0.154
local terms energy: -54.781812
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -87.463654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.463654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.463654 (E_RNA)
where:
Base-Base interactions energy: -36.121
where: short stacking energy: -36.121
Base-Backbone interact. energy: -0.090
local terms energy: -51.252110
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -4.615
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -92.042739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.042739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.042739 (E_RNA)
where:
Base-Base interactions energy: -46.959
where: short stacking energy: -46.959
Base-Backbone interact. energy: -0.074
local terms energy: -45.010069
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -5.399
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -221.883065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.883065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.883065 (E_RNA)
where:
Base-Base interactions energy: -141.571
where: short stacking energy: -83.220
Base-Backbone interact. energy: -0.004
local terms energy: -80.308312
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -25.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -215.075513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.075513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.075513 (E_RNA)
where:
Base-Base interactions energy: -138.273
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.845
local terms energy: -75.957734
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -23.570
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: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -185.526691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.526691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.526691 (E_RNA)
where:
Base-Base interactions energy: -119.679
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.092
local terms energy: -65.755765
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.521
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: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -186.290546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.290546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.290546 (E_RNA)
where:
Base-Base interactions energy: -106.766
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.292
local terms energy: -79.233147
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -165.773630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.773630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.773630 (E_RNA)
where:
Base-Base interactions energy: -101.772
where: short stacking energy: -54.092
Base-Backbone interact. energy: -0.005
local terms energy: -63.996970
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -14.029
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: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -163.148677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.148677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.148677 (E_RNA)
where:
Base-Base interactions energy: -98.724
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.051
local terms energy: -64.373848
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -106.201539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.201539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.201539 (E_RNA)
where:
Base-Base interactions energy: -41.953
where: short stacking energy: -41.109
Base-Backbone interact. energy: -0.063
local terms energy: -64.185075
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -96.322216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322216 (E_RNA)
where:
Base-Base interactions energy: -43.486
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.044
local terms energy: -52.792495
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -8.591
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: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -92.662264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.662264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.662264 (E_RNA)
where:
Base-Base interactions energy: -39.131
where: short stacking energy: -39.131
Base-Backbone interact. energy: -0.148
local terms energy: -53.383134
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -85.953828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953828 (E_RNA)
where:
Base-Base interactions energy: -32.940
where: short stacking energy: -32.100
Base-Backbone interact. energy: -0.066
local terms energy: -52.948183
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -6.562
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: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -210.208463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.208463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.208463 (E_RNA)
where:
Base-Base interactions energy: -130.153
where: short stacking energy: -73.495
Base-Backbone interact. energy: -0.003
local terms energy: -80.051979
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -218.691932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691932 (E_RNA)
where:
Base-Base interactions energy: -137.303
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.003
local terms energy: -81.386013
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -23.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -204.988167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.988167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.988167 (E_RNA)
where:
Base-Base interactions energy: -125.105
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.018
local terms energy: -79.865791
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -20.779
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -167.004848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.004848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.004848 (E_RNA)
where:
Base-Base interactions energy: -99.499
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.091
local terms energy: -67.414265
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -189.422791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.422791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.422791 (E_RNA)
where:
Base-Base interactions energy: -120.281
where: short stacking energy: -70.227
Base-Backbone interact. energy: -0.072
local terms energy: -69.070068
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -142.614033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.614033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.614033 (E_RNA)
where:
Base-Base interactions energy: -81.659
where: short stacking energy: -32.824
Base-Backbone interact. energy: -0.066
local terms energy: -60.888665
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -104.064484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.064484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.064484 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.099
local terms energy: -58.462504
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -7.293
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: 219
Temperature: 1.250000
Total energy: -103.643230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.643230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.643230 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -43.076
Base-Backbone interact. energy: -0.302
local terms energy: -60.265201
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -105.909062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.909062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.909062 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.269
local terms energy: -51.800088
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -9.291
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: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -86.354639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.354639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.354639 (E_RNA)
where:
Base-Base interactions energy: -38.724
where: short stacking energy: -25.608
Base-Backbone interact. energy: -0.186
local terms energy: -47.444713
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.599
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: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -220.192925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.192925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.192925 (E_RNA)
where:
Base-Base interactions energy: -134.940
where: short stacking energy: -76.991
Base-Backbone interact. energy: -0.003
local terms energy: -85.249911
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -24.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -206.112656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.112656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.112656 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -76.777
Base-Backbone interact. energy: -0.022
local terms energy: -73.955516
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -169.506617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.506617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.506617 (E_RNA)
where:
Base-Base interactions energy: -96.030
where: short stacking energy: -59.972
Base-Backbone interact. energy: -0.109
local terms energy: -73.367634
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -186.325488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.325488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.325488 (E_RNA)
where:
Base-Base interactions energy: -112.501
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.006
local terms energy: -73.818962
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -182.850497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.850497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.850497 (E_RNA)
where:
Base-Base interactions energy: -110.104
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.030
local terms energy: -72.716609
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -15.790
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -154.303035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.303035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.303035 (E_RNA)
where:
Base-Base interactions energy: -97.921
where: short stacking energy: -51.811
Base-Backbone interact. energy: -0.072
local terms energy: -56.310031
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -7.192
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: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -99.162546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.162546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.162546 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -44.125
Base-Backbone interact. energy: -0.081
local terms energy: -54.379527
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -102.307418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.307418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.307418 (E_RNA)
where:
Base-Base interactions energy: -39.828
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.041
local terms energy: -62.438662
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -83.810576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.810576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.810576 (E_RNA)
where:
Base-Base interactions energy: -30.421
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.200
local terms energy: -53.189800
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -7.843
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: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -83.302175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.302175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.302175 (E_RNA)
where:
Base-Base interactions energy: -26.830
where: short stacking energy: -26.457
Base-Backbone interact. energy: -0.158
local terms energy: -56.314807
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -224.913358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.913358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.913358 (E_RNA)
where:
Base-Base interactions energy: -138.735
where: short stacking energy: -80.321
Base-Backbone interact. energy: -0.018
local terms energy: -86.160303
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -196.947351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.947351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.947351 (E_RNA)
where:
Base-Base interactions energy: -117.972
where: short stacking energy: -69.006
Base-Backbone interact. energy: 0.542
local terms energy: -79.516437
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -197.163590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.163590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.163590 (E_RNA)
where:
Base-Base interactions energy: -120.909
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.032
local terms energy: -76.223209
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -202.174928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.174928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.174928 (E_RNA)
where:
Base-Base interactions energy: -122.174
where: short stacking energy: -68.069
Base-Backbone interact. energy: -0.089
local terms energy: -79.911778
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -178.659630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.659630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.659630 (E_RNA)
where:
Base-Base interactions energy: -109.778
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.002
local terms energy: -68.880574
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.255
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: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -156.289448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.289448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.289448 (E_RNA)
where:
Base-Base interactions energy: -88.142
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.052
local terms energy: -68.095605
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -98.176815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.176815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.176815 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -40.031
Base-Backbone interact. energy: 1.361
local terms energy: -59.506438
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -9.954
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: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -86.507544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.507544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.507544 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.222
local terms energy: -48.760135
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -116.057873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.057873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.057873 (E_RNA)
where:
Base-Base interactions energy: -64.645
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.306
local terms energy: -51.107198
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -84.500774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.500774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.500774 (E_RNA)
where:
Base-Base interactions energy: -29.472
where: short stacking energy: -16.112
Base-Backbone interact. energy: -0.322
local terms energy: -54.705965
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -195.801124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.801124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.801124 (E_RNA)
where:
Base-Base interactions energy: -119.704
where: short stacking energy: -68.030
Base-Backbone interact. energy: -1.041
local terms energy: -75.056400
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -213.536640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536640 (E_RNA)
where:
Base-Base interactions energy: -133.079
where: short stacking energy: -75.875
Base-Backbone interact. energy: -0.006
local terms energy: -80.452180
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -21.346
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -189.162502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.162502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.162502 (E_RNA)
where:
Base-Base interactions energy: -116.019
where: short stacking energy: -66.788
Base-Backbone interact. energy: 1.369
local terms energy: -74.512470
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -201.003932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.003932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.003932 (E_RNA)
where:
Base-Base interactions energy: -122.068
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.097
local terms energy: -78.838161
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -181.237140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.237140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.237140 (E_RNA)
where:
Base-Base interactions energy: -110.828
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.027
local terms energy: -70.381501
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -153.009344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.009344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.009344 (E_RNA)
where:
Base-Base interactions energy: -88.382
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.149
local terms energy: -64.479254
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -88.883007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.883007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.883007 (E_RNA)
where:
Base-Base interactions energy: -33.545
where: short stacking energy: -17.710
Base-Backbone interact. energy: -0.959
local terms energy: -54.378493
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: 1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -117.532106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.532106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.532106 (E_RNA)
where:
Base-Base interactions energy: -67.493
where: short stacking energy: -41.093
Base-Backbone interact. energy: -0.276
local terms energy: -49.763611
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -89.406333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406333 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -37.162
Base-Backbone interact. energy: 0.167
local terms energy: -52.262864
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -3.486
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: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -81.507891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507891 (E_RNA)
where:
Base-Base interactions energy: -36.793
where: short stacking energy: -31.711
Base-Backbone interact. energy: -0.234
local terms energy: -44.481007
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: 2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -198.300379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.300379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.300379 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.741
local terms energy: -76.683706
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -209.291793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.291793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291793 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.018
local terms energy: -78.741307
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -22.094
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -176.762921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.762921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.762921 (E_RNA)
where:
Base-Base interactions energy: -108.590
where: short stacking energy: -59.560
Base-Backbone interact. energy: 0.428
local terms energy: -68.601605
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -9.273
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: 223
Temperature: 1.050000
Total energy: -186.110114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.110114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.110114 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.034
local terms energy: -69.463878
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -182.888200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888200 (E_RNA)
where:
Base-Base interactions energy: -114.782
where: short stacking energy: -58.685
Base-Backbone interact. energy: -0.070
local terms energy: -68.035666
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.860
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: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -145.603418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.603418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.603418 (E_RNA)
where:
Base-Base interactions energy: -91.099
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.043
local terms energy: -54.460784
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -6.100
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: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -107.502830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.502830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.502830 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.045
local terms energy: -71.864641
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.438
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -116.722293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.722293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.722293 (E_RNA)
where:
Base-Base interactions energy: -63.184
where: short stacking energy: -36.952
Base-Backbone interact. energy: -0.137
local terms energy: -53.402089
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -98.876880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.876880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.876880 (E_RNA)
where:
Base-Base interactions energy: -45.761
where: short stacking energy: -18.012
Base-Backbone interact. energy: 0.085
local terms energy: -53.200354
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -73.550476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.550476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.550476 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -21.080
Base-Backbone interact. energy: -0.133
local terms energy: -42.815505
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -219.630762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.630762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.630762 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.079
local terms energy: -80.105663
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -178.728502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.728502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.728502 (E_RNA)
where:
Base-Base interactions energy: -108.450
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.380
local terms energy: -69.898730
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -13.077
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: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -203.260599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.260599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.260599 (E_RNA)
where:
Base-Base interactions energy: -134.730
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.004
local terms energy: -68.527149
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: -19.694
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: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -164.478777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.478777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.478777 (E_RNA)
where:
Base-Base interactions energy: -95.067
where: short stacking energy: -57.238
Base-Backbone interact. energy: -0.359
local terms energy: -69.052387
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -152.298194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.298194 (E_RNA)
where:
Base-Base interactions energy: -84.408
where: short stacking energy: -44.219
Base-Backbone interact. energy: -0.412
local terms energy: -67.478441
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -12.194
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -199.464611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.464611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.464611 (E_RNA)
where:
Base-Base interactions energy: -125.453
where: short stacking energy: -69.523
Base-Backbone interact. energy: -0.117
local terms energy: -73.894651
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -20.089
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: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -103.908580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.908580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.908580 (E_RNA)
where:
Base-Base interactions energy: -46.892
where: short stacking energy: -27.859
Base-Backbone interact. energy: 0.843
local terms energy: -57.859831
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -11.568
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: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -109.444769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.444769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.444769 (E_RNA)
where:
Base-Base interactions energy: -56.548
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.007
local terms energy: -52.890109
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -9.974
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: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -84.650661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.650661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.650661 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -26.510
Base-Backbone interact. energy: 0.661
local terms energy: -46.824869
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -86.988978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988978 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.101
local terms energy: -48.551225
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -4.900
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: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -208.625121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.625121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.625121 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -77.896
Base-Backbone interact. energy: 0.048
local terms energy: -79.116912
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -208.638285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.638285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.638285 (E_RNA)
where:
Base-Base interactions energy: -132.528
where: short stacking energy: -71.436
Base-Backbone interact. energy: -0.163
local terms energy: -75.946690
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -179.181115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.181115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.181115 (E_RNA)
where:
Base-Base interactions energy: -105.967
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.195
local terms energy: -73.019590
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -179.741387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.741387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.741387 (E_RNA)
where:
Base-Base interactions energy: -114.093
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.022
local terms energy: -65.626585
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -183.054729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.054729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.054729 (E_RNA)
where:
Base-Base interactions energy: -109.166
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.029
local terms energy: -73.860302
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -13.776
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: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -187.821532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.821532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.821532 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.096
local terms energy: -69.140705
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -141.729606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.729606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.729606 (E_RNA)
where:
Base-Base interactions energy: -76.106
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.158
local terms energy: -65.465637
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -102.919524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.919524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.919524 (E_RNA)
where:
Base-Base interactions energy: -43.919
where: short stacking energy: -43.919
Base-Backbone interact. energy: -0.131
local terms energy: -58.868892
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -8.091
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: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -94.981084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.981084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.981084 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.164
local terms energy: -60.526295
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.875
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: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -82.334850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.334850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.334850 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.841
local terms energy: -46.364091
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: 2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -217.355193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.355193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.355193 (E_RNA)
where:
Base-Base interactions energy: -138.852
where: short stacking energy: -78.089
Base-Backbone interact. energy: -0.006
local terms energy: -78.497676
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -207.533913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.533913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.533913 (E_RNA)
where:
Base-Base interactions energy: -130.448
where: short stacking energy: -74.097
Base-Backbone interact. energy: -0.003
local terms energy: -77.082750
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -19.446
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: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -173.951174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.951174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.951174 (E_RNA)
where:
Base-Base interactions energy: -103.276
where: short stacking energy: -52.750
Base-Backbone interact. energy: 0.947
local terms energy: -71.622500
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -179.573779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.573779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.573779 (E_RNA)
where:
Base-Base interactions energy: -109.228
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.028
local terms energy: -70.316972
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -14.279
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: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -178.405599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.405599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.405599 (E_RNA)
where:
Base-Base interactions energy: -117.974
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.238
local terms energy: -60.193254
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -6.827
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: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -165.164179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.164179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.164179 (E_RNA)
where:
Base-Base interactions energy: -93.270
where: short stacking energy: -47.166
Base-Backbone interact. energy: 0.225
local terms energy: -72.119148
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -100.980200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.980200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.980200 (E_RNA)
where:
Base-Base interactions energy: -40.186
where: short stacking energy: -33.686
Base-Backbone interact. energy: -0.109
local terms energy: -60.685052
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -116.251379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.251379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.251379 (E_RNA)
where:
Base-Base interactions energy: -56.024
where: short stacking energy: -40.770
Base-Backbone interact. energy: -0.432
local terms energy: -59.794854
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -83.720397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.720397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.720397 (E_RNA)
where:
Base-Base interactions energy: -37.038
where: short stacking energy: -37.038
Base-Backbone interact. energy: -0.205
local terms energy: -46.477687
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -7.100
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -79.218258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218258 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -29.314
Base-Backbone interact. energy: 0.736
local terms energy: -48.508716
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -5.866
flat angles P-C4'-P energy: -7.679
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: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -217.929784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.929784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.929784 (E_RNA)
where:
Base-Base interactions energy: -142.482
where: short stacking energy: -76.064
Base-Backbone interact. energy: -0.667
local terms energy: -74.781307
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -21.450
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: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -206.041720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.041720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.041720 (E_RNA)
where:
Base-Base interactions energy: -127.532
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.001
local terms energy: -78.507912
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -184.092613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.092613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.092613 (E_RNA)
where:
Base-Base interactions energy: -105.723
where: short stacking energy: -65.985
Base-Backbone interact. energy: -0.273
local terms energy: -78.096680
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -203.835285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.835285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.835285 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.127
local terms energy: -79.310192
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -171.785339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.785339 (E_RNA)
where:
Base-Base interactions energy: -105.793
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.107
local terms energy: -65.885672
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -143.397576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.397576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.397576 (E_RNA)
where:
Base-Base interactions energy: -80.899
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.422
local terms energy: -62.076500
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.574
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: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -97.862736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.862736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.862736 (E_RNA)
where:
Base-Base interactions energy: -44.670
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.131
local terms energy: -53.061518
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -98.713938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.713938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.713938 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -23.460
Base-Backbone interact. energy: -0.105
local terms energy: -54.746498
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.372
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: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -93.844956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.844956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.844956 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.705
local terms energy: -44.144110
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -3.898
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: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -70.890563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.890563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.890563 (E_RNA)
where:
Base-Base interactions energy: -20.196
where: short stacking energy: -20.184
Base-Backbone interact. energy: -0.102
local terms energy: -50.591946
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -8.830
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: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -216.301273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.301273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.301273 (E_RNA)
where:
Base-Base interactions energy: -134.829
where: short stacking energy: -72.068
Base-Backbone interact. energy: -0.002
local terms energy: -81.470792
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -201.832635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.832635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.832635 (E_RNA)
where:
Base-Base interactions energy: -120.865
where: short stacking energy: -70.826
Base-Backbone interact. energy: -0.001
local terms energy: -80.966481
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -201.610682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.610682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.610682 (E_RNA)
where:
Base-Base interactions energy: -124.436
where: short stacking energy: -72.864
Base-Backbone interact. energy: -0.002
local terms energy: -77.172203
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -20.644
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: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -175.110595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.110595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.110595 (E_RNA)
where:
Base-Base interactions energy: -103.508
where: short stacking energy: -52.676
Base-Backbone interact. energy: -0.160
local terms energy: -71.442816
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.566
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: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -156.519858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.519858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.519858 (E_RNA)
where:
Base-Base interactions energy: -83.598
where: short stacking energy: -44.335
Base-Backbone interact. energy: 0.183
local terms energy: -73.104820
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -12.809
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -162.169738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.169738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.169738 (E_RNA)
where:
Base-Base interactions energy: -96.051
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.032
local terms energy: -66.086899
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -102.488222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.488222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.488222 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -37.131
Base-Backbone interact. energy: -0.196
local terms energy: -60.266617
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -114.139629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.139629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.139629 (E_RNA)
where:
Base-Base interactions energy: -52.947
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.255
local terms energy: -60.938034
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -86.213879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.213879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.213879 (E_RNA)
where:
Base-Base interactions energy: -27.011
where: short stacking energy: -26.121
Base-Backbone interact. energy: -0.081
local terms energy: -59.121778
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -75.041931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.041931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.041931 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -26.760
Base-Backbone interact. energy: 0.415
local terms energy: -48.177442
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -216.187504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.187504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.187504 (E_RNA)
where:
Base-Base interactions energy: -135.513
where: short stacking energy: -82.039
Base-Backbone interact. energy: -0.788
local terms energy: -79.886199
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -204.183267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.183267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.183267 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -72.663
Base-Backbone interact. energy: -0.001
local terms energy: -81.705232
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -199.784786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.784786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.784786 (E_RNA)
where:
Base-Base interactions energy: -116.917
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.027
local terms energy: -82.840833
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -18.728
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: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -165.173891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.173891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.173891 (E_RNA)
where:
Base-Base interactions energy: -93.983
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.378
local terms energy: -70.813203
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -12.065
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: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -173.084736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.084736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.084736 (E_RNA)
where:
Base-Base interactions energy: -104.756
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.354
local terms energy: -67.975444
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -158.324154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.324154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.324154 (E_RNA)
where:
Base-Base interactions energy: -97.609
where: short stacking energy: -51.360
Base-Backbone interact. energy: 0.013
local terms energy: -60.727619
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -11.009
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: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -98.866609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.866609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.866609 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -47.049
Base-Backbone interact. energy: 0.841
local terms energy: -52.658982
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.463
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -74.888845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.888845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.888845 (E_RNA)
where:
Base-Base interactions energy: -18.967
where: short stacking energy: -19.314
Base-Backbone interact. energy: -0.231
local terms energy: -55.690715
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -80.458624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.458624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.458624 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -32.266
Base-Backbone interact. energy: 1.655
local terms energy: -49.847376
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -5.382
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: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -76.118114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.118114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.118114 (E_RNA)
where:
Base-Base interactions energy: -20.030
where: short stacking energy: -19.686
Base-Backbone interact. energy: 1.412
local terms energy: -57.500656
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -219.010025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.010025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.010025 (E_RNA)
where:
Base-Base interactions energy: -137.476
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.028
local terms energy: -81.506111
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -199.541812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.541812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.541812 (E_RNA)
where:
Base-Base interactions energy: -121.449
where: short stacking energy: -75.596
Base-Backbone interact. energy: 2.519
local terms energy: -80.612115
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -22.997
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: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -173.618229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.618229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.618229 (E_RNA)
where:
Base-Base interactions energy: -106.938
where: short stacking energy: -66.435
Base-Backbone interact. energy: 0.678
local terms energy: -67.357664
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -198.373926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.373926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.373926 (E_RNA)
where:
Base-Base interactions energy: -125.324
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.007
local terms energy: -73.042194
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -24.732
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: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -161.180197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.180197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.180197 (E_RNA)
where:
Base-Base interactions energy: -90.595
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.250
local terms energy: -70.335882
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -152.281183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.281183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.281183 (E_RNA)
where:
Base-Base interactions energy: -96.662
where: short stacking energy: -52.483
Base-Backbone interact. energy: -0.026
local terms energy: -55.593274
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -9.226
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -108.937275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.937275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.937275 (E_RNA)
where:
Base-Base interactions energy: -39.219
where: short stacking energy: -33.735
Base-Backbone interact. energy: 0.219
local terms energy: -69.937030
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -85.566695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566695 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -40.736
Base-Backbone interact. energy: -0.082
local terms energy: -44.748745
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -6.489
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -81.373301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.373301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.373301 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -32.673
Base-Backbone interact. energy: -0.045
local terms energy: -48.654903
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -7.015
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: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -74.588118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.588118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.588118 (E_RNA)
where:
Base-Base interactions energy: -19.314
where: short stacking energy: -16.276
Base-Backbone interact. energy: -0.289
local terms energy: -54.985696
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -219.892647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.892647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.892647 (E_RNA)
where:
Base-Base interactions energy: -136.646
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.009
local terms energy: -83.237911
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -24.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -205.785976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.785976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.785976 (E_RNA)
where:
Base-Base interactions energy: -134.328
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.006
local terms energy: -71.452433
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -177.589179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.589179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.589179 (E_RNA)
where:
Base-Base interactions energy: -107.460
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.135
local terms energy: -69.993867
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -174.983709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.983709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.983709 (E_RNA)
where:
Base-Base interactions energy: -106.955
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.292
local terms energy: -67.736763
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -181.799129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.799129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.799129 (E_RNA)
where:
Base-Base interactions energy: -114.868
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.131
local terms energy: -66.800295
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -16.684
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: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -163.577892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.577892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.577892 (E_RNA)
where:
Base-Base interactions energy: -92.967
where: short stacking energy: -47.711
Base-Backbone interact. energy: -0.502
local terms energy: -70.108867
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -11.272
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: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -90.738906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.738906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.738906 (E_RNA)
where:
Base-Base interactions energy: -37.013
where: short stacking energy: -26.527
Base-Backbone interact. energy: -0.208
local terms energy: -53.517668
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -89.719426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719426 (E_RNA)
where:
Base-Base interactions energy: -39.536
where: short stacking energy: -22.635
Base-Backbone interact. energy: -1.182
local terms energy: -49.001442
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -99.031839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.031839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.031839 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -35.066
Base-Backbone interact. energy: -0.017
local terms energy: -59.455254
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -10.255
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: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -81.861922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.861922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.861922 (E_RNA)
where:
Base-Base interactions energy: -31.988
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.916
local terms energy: -48.958230
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -218.095319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.095319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.095319 (E_RNA)
where:
Base-Base interactions energy: -134.879
where: short stacking energy: -76.675
Base-Backbone interact. energy: 0.122
local terms energy: -83.337763
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -208.996197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.996197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.996197 (E_RNA)
where:
Base-Base interactions energy: -134.797
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.001
local terms energy: -74.198232
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -177.013128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.013128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.013128 (E_RNA)
where:
Base-Base interactions energy: -102.866
where: short stacking energy: -53.645
Base-Backbone interact. energy: -1.222
local terms energy: -72.925218
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -15.151
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -178.483164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.483164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.483164 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -54.438
Base-Backbone interact. energy: 0.877
local terms energy: -75.490313
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -176.603680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603680 (E_RNA)
where:
Base-Base interactions energy: -110.702
where: short stacking energy: -60.422
Base-Backbone interact. energy: 0.170
local terms energy: -66.071628
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -164.066487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.066487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.066487 (E_RNA)
where:
Base-Base interactions energy: -109.808
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.432
local terms energy: -53.826615
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -96.208217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208217 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -37.161
Base-Backbone interact. energy: -0.090
local terms energy: -58.912758
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -114.761464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.761464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.761464 (E_RNA)
where:
Base-Base interactions energy: -78.237
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.155
local terms energy: -36.368857
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -111.326351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.326351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.326351 (E_RNA)
where:
Base-Base interactions energy: -50.978
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.102
local terms energy: -60.246669
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -14.132
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: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -81.578760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578760 (E_RNA)
where:
Base-Base interactions energy: -28.584
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.351
local terms energy: -52.644051
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -198.772183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.772183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.772183 (E_RNA)
where:
Base-Base interactions energy: -118.929
where: short stacking energy: -70.582
Base-Backbone interact. energy: 0.108
local terms energy: -79.950975
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -212.278475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278475 (E_RNA)
where:
Base-Base interactions energy: -133.931
where: short stacking energy: -81.187
Base-Backbone interact. energy: -0.012
local terms energy: -78.335579
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -22.481
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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -172.318260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.318260 (E_RNA)
where:
Base-Base interactions energy: -99.505
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.021
local terms energy: -72.791810
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -192.936481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936481 (E_RNA)
where:
Base-Base interactions energy: -125.539
where: short stacking energy: -62.171
Base-Backbone interact. energy: 0.012
local terms energy: -67.409552
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -158.113843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.113843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.113843 (E_RNA)
where:
Base-Base interactions energy: -88.569
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.025
local terms energy: -69.519862
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -155.339790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.339790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.339790 (E_RNA)
where:
Base-Base interactions energy: -88.323
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.110
local terms energy: -66.907210
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -10.503
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: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -90.086522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.086522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.086522 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -18.942
Base-Backbone interact. energy: -0.989
local terms energy: -57.217518
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -9.022
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: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -132.567157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.567157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.567157 (E_RNA)
where:
Base-Base interactions energy: -75.245
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.417
local terms energy: -56.905817
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -4.210
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: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -104.061430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061430 (E_RNA)
where:
Base-Base interactions energy: -36.136
where: short stacking energy: -36.136
Base-Backbone interact. energy: -0.188
local terms energy: -67.737955
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.655
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -91.508212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508212 (E_RNA)
where:
Base-Base interactions energy: -42.783
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.431
local terms energy: -48.294738
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -216.559436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.559436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.559436 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -79.806
Base-Backbone interact. energy: -0.012
local terms energy: -82.233660
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -192.014136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.014136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.014136 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -57.877
Base-Backbone interact. energy: -0.177
local terms energy: -80.852203
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -17.304
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: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -185.823851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.823851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.823851 (E_RNA)
where:
Base-Base interactions energy: -126.447
where: short stacking energy: -63.890
Base-Backbone interact. energy: -0.058
local terms energy: -59.318780
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -175.725273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.725273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.725273 (E_RNA)
where:
Base-Base interactions energy: -103.903
where: short stacking energy: -58.391
Base-Backbone interact. energy: -1.940
local terms energy: -69.882180
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -17.451
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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -158.154458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.154458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.154458 (E_RNA)
where:
Base-Base interactions energy: -94.537
where: short stacking energy: -50.057
Base-Backbone interact. energy: -0.070
local terms energy: -63.547115
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -11.767
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: 234
Temperature: 1.150000
Total energy: -146.832083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.832083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.832083 (E_RNA)
where:
Base-Base interactions energy: -89.366
where: short stacking energy: -44.957
Base-Backbone interact. energy: 2.068
local terms energy: -59.534726
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -131.896676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.896676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.896676 (E_RNA)
where:
Base-Base interactions energy: -77.724
where: short stacking energy: -52.171
Base-Backbone interact. energy: -0.134
local terms energy: -54.039181
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -91.079292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.079292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.079292 (E_RNA)
where:
Base-Base interactions energy: -39.782
where: short stacking energy: -35.609
Base-Backbone interact. energy: -0.115
local terms energy: -51.182369
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -78.107572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.107572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.107572 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.102
local terms energy: -50.885203
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -74.880286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.880286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.880286 (E_RNA)
where:
Base-Base interactions energy: -21.531
where: short stacking energy: -20.678
Base-Backbone interact. energy: -0.219
local terms energy: -53.130520
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -220.149892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.149892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.149892 (E_RNA)
where:
Base-Base interactions energy: -135.766
where: short stacking energy: -76.185
Base-Backbone interact. energy: -2.108
local terms energy: -82.276063
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -223.996618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.996618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.996618 (E_RNA)
where:
Base-Base interactions energy: -138.039
where: short stacking energy: -80.081
Base-Backbone interact. energy: -0.007
local terms energy: -85.951389
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -190.698374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.698374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.698374 (E_RNA)
where:
Base-Base interactions energy: -124.150
where: short stacking energy: -70.280
Base-Backbone interact. energy: -0.035
local terms energy: -66.512907
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -175.689072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.689072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.689072 (E_RNA)
where:
Base-Base interactions energy: -103.866
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.095
local terms energy: -71.727109
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.929
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: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -165.176353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.176353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.176353 (E_RNA)
where:
Base-Base interactions energy: -99.274
where: short stacking energy: -51.081
Base-Backbone interact. energy: -0.304
local terms energy: -65.597823
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -10.566
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: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -160.307205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.307205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.307205 (E_RNA)
where:
Base-Base interactions energy: -89.545
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.053
local terms energy: -70.708665
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -13.497
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: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -97.316158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316158 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -43.252
Base-Backbone interact. energy: -0.143
local terms energy: -51.535428
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -6.520
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: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -88.106959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.106959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.106959 (E_RNA)
where:
Base-Base interactions energy: -49.302
where: short stacking energy: -35.757
Base-Backbone interact. energy: 4.108
local terms energy: -42.913027
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -4.439
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -87.835141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.835141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.835141 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -35.777
Base-Backbone interact. energy: -0.108
local terms energy: -51.950812
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.328811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.328811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.328811 (E_RNA)
where:
Base-Base interactions energy: -25.220
where: short stacking energy: -24.284
Base-Backbone interact. energy: -0.348
local terms energy: -54.760784
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.737
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -211.959135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.959135 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.010
local terms energy: -77.966021
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -209.200429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.200429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.200429 (E_RNA)
where:
Base-Base interactions energy: -134.025
where: short stacking energy: -75.537
Base-Backbone interact. energy: 0.256
local terms energy: -75.431739
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -22.086
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: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -187.749900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.749900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.749900 (E_RNA)
where:
Base-Base interactions energy: -114.032
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.017
local terms energy: -73.701627
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -17.204
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: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -170.442430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.442430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.442430 (E_RNA)
where:
Base-Base interactions energy: -95.815
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.001
local terms energy: -74.627095
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -17.529
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -181.972216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.972216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.972216 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -68.450
Base-Backbone interact. energy: 0.313
local terms energy: -70.697540
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -17.606
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: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -161.482698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.482698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.482698 (E_RNA)
where:
Base-Base interactions energy: -90.574
where: short stacking energy: -56.043
Base-Backbone interact. energy: -0.244
local terms energy: -70.664741
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -103.322685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.322685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.322685 (E_RNA)
where:
Base-Base interactions energy: -41.065
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.075
local terms energy: -62.182375
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -95.257006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.257006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.257006 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.004
local terms energy: -53.672785
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -88.298299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.298299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.298299 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.090
local terms energy: -52.969882
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -90.069765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069765 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -35.039
Base-Backbone interact. energy: -0.053
local terms energy: -54.977874
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -218.670783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.670783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.670783 (E_RNA)
where:
Base-Base interactions energy: -139.252
where: short stacking energy: -79.450
Base-Backbone interact. energy: -0.006
local terms energy: -79.413095
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -210.760349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760349 (E_RNA)
where:
Base-Base interactions energy: -132.993
where: short stacking energy: -82.926
Base-Backbone interact. energy: -0.001
local terms energy: -77.766660
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -194.713021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.713021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.713021 (E_RNA)
where:
Base-Base interactions energy: -117.404
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.112
local terms energy: -77.196610
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -21.056
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: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -182.912893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.912893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.912893 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -62.894
Base-Backbone interact. energy: 0.719
local terms energy: -72.385087
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -9.643
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: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -156.162134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.162134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.162134 (E_RNA)
where:
Base-Base interactions energy: -84.653
where: short stacking energy: -44.212
Base-Backbone interact. energy: -0.153
local terms energy: -71.356266
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -144.141459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.141459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.141459 (E_RNA)
where:
Base-Base interactions energy: -82.528
where: short stacking energy: -42.913
Base-Backbone interact. energy: -0.075
local terms energy: -61.538427
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -8.000
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: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -138.171061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.171061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.171061 (E_RNA)
where:
Base-Base interactions energy: -78.821
where: short stacking energy: -37.381
Base-Backbone interact. energy: -0.218
local terms energy: -59.131904
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -90.532762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.532762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.532762 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.232
local terms energy: -56.820503
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -77.858983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.858983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.858983 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.163
local terms energy: -49.430571
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -89.789735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789735 (E_RNA)
where:
Base-Base interactions energy: -46.462
where: short stacking energy: -34.090
Base-Backbone interact. energy: 0.538
local terms energy: -43.865805
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -207.459531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.459531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.459531 (E_RNA)
where:
Base-Base interactions energy: -127.426
where: short stacking energy: -74.207
Base-Backbone interact. energy: -0.083
local terms energy: -79.950360
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -21.321
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -211.656685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.656685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.656685 (E_RNA)
where:
Base-Base interactions energy: -130.226
where: short stacking energy: -71.171
Base-Backbone interact. energy: -0.001
local terms energy: -81.429657
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -22.349
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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -200.579604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.579604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.579604 (E_RNA)
where:
Base-Base interactions energy: -119.595
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.014
local terms energy: -80.970762
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -188.127441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.127441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.127441 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.101
local terms energy: -78.153232
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -152.164924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.164924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.164924 (E_RNA)
where:
Base-Base interactions energy: -89.941
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.061
local terms energy: -62.163503
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -12.791
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: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -148.199741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.199741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.199741 (E_RNA)
where:
Base-Base interactions energy: -84.063
where: short stacking energy: -39.784
Base-Backbone interact. energy: -0.530
local terms energy: -63.606864
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -10.522
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: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -150.338496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.338496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.338496 (E_RNA)
where:
Base-Base interactions energy: -89.301
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.014
local terms energy: -61.023545
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -8.651
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: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -90.317582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.317582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.317582 (E_RNA)
where:
Base-Base interactions energy: -41.731
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.071
local terms energy: -48.516014
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -90.240221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240221 (E_RNA)
where:
Base-Base interactions energy: -44.333
where: short stacking energy: -30.028
Base-Backbone interact. energy: 0.796
local terms energy: -46.703826
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -80.717559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.717559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.717559 (E_RNA)
where:
Base-Base interactions energy: -28.814
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.012
local terms energy: -51.891810
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -8.238
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: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -217.406012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.406012 (E_RNA)
where:
Base-Base interactions energy: -137.726
where: short stacking energy: -83.812
Base-Backbone interact. energy: -0.078
local terms energy: -79.602000
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -217.345640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.345640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.345640 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.002
local terms energy: -80.985974
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -208.482075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.482075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.482075 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -74.350
Base-Backbone interact. energy: -0.092
local terms energy: -83.569924
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -175.070277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.070277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.070277 (E_RNA)
where:
Base-Base interactions energy: -106.509
where: short stacking energy: -62.640
Base-Backbone interact. energy: -0.684
local terms energy: -67.876995
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -158.032269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.032269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.032269 (E_RNA)
where:
Base-Base interactions energy: -91.772
where: short stacking energy: -53.275
Base-Backbone interact. energy: -0.449
local terms energy: -65.810735
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -120.999613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.999613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.999613 (E_RNA)
where:
Base-Base interactions energy: -54.701
where: short stacking energy: -41.811
Base-Backbone interact. energy: 0.126
local terms energy: -66.424163
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -157.889113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.889113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.889113 (E_RNA)
where:
Base-Base interactions energy: -90.413
where: short stacking energy: -45.310
Base-Backbone interact. energy: -0.809
local terms energy: -66.667511
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -12.615
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: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -87.621968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.621968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.621968 (E_RNA)
where:
Base-Base interactions energy: -35.327
where: short stacking energy: -35.327
Base-Backbone interact. energy: -0.163
local terms energy: -52.132719
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -5.474
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: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -92.060125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.060125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.060125 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.116
local terms energy: -55.285030
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -85.601341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.601341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.601341 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -31.728
Base-Backbone interact. energy: -0.126
local terms energy: -53.471014
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -214.900575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.900575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.900575 (E_RNA)
where:
Base-Base interactions energy: -131.383
where: short stacking energy: -82.977
Base-Backbone interact. energy: -0.023
local terms energy: -83.494673
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -202.473096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.473096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.473096 (E_RNA)
where:
Base-Base interactions energy: -126.962
where: short stacking energy: -64.253
Base-Backbone interact. energy: 0.321
local terms energy: -75.832868
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -204.377355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.377355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377355 (E_RNA)
where:
Base-Base interactions energy: -123.365
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.027
local terms energy: -80.986136
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -20.514
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: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -174.948391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.948391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.948391 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -65.382
Base-Backbone interact. energy: -0.142
local terms energy: -62.158016
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -7.799
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: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -161.468405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.468405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.468405 (E_RNA)
where:
Base-Base interactions energy: -93.335
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.178
local terms energy: -67.955362
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -88.624940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.624940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.624940 (E_RNA)
where:
Base-Base interactions energy: -38.961
where: short stacking energy: -29.879
Base-Backbone interact. energy: 2.061
local terms energy: -51.725405
where:
bonds (distance) C4'-P energy: -4.818
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -4.101
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: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -106.274971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.274971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.274971 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.042
local terms energy: -65.445436
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -9.473
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -117.188287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.188287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.188287 (E_RNA)
where:
Base-Base interactions energy: -67.550
where: short stacking energy: -32.884
Base-Backbone interact. energy: 0.330
local terms energy: -49.967734
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -7.547
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: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -106.915038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.915038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.915038 (E_RNA)
where:
Base-Base interactions energy: -45.221
where: short stacking energy: -45.221
Base-Backbone interact. energy: -0.342
local terms energy: -61.352457
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -6.151
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: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -85.993905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993905 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -31.566
Base-Backbone interact. energy: 0.760
local terms energy: -55.186970
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -7.133
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -5.415
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: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -216.004167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.004167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.004167 (E_RNA)
where:
Base-Base interactions energy: -130.690
where: short stacking energy: -73.066
Base-Backbone interact. energy: -0.007
local terms energy: -85.306924
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -207.399658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.399658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.399658 (E_RNA)
where:
Base-Base interactions energy: -128.031
where: short stacking energy: -73.460
Base-Backbone interact. energy: -0.057
local terms energy: -79.311877
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -195.575182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.575182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.575182 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.113
local terms energy: -78.180049
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -170.880890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.880890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.880890 (E_RNA)
where:
Base-Base interactions energy: -105.918
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.184
local terms energy: -64.778894
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -149.789140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.789140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.789140 (E_RNA)
where:
Base-Base interactions energy: -87.751
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.069
local terms energy: -61.969450
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -102.986460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.986460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.986460 (E_RNA)
where:
Base-Base interactions energy: -40.116
where: short stacking energy: -41.216
Base-Backbone interact. energy: -0.077
local terms energy: -62.793809
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.322
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: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -100.015579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.015579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.015579 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.274
local terms energy: -58.482656
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -96.156548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.156548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.156548 (E_RNA)
where:
Base-Base interactions energy: -46.899
where: short stacking energy: -46.899
Base-Backbone interact. energy: -0.124
local terms energy: -49.133700
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -94.048554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.048554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.048554 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -40.576
Base-Backbone interact. energy: -0.160
local terms energy: -53.308343
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -71.802387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.802387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.802387 (E_RNA)
where:
Base-Base interactions energy: -18.992
where: short stacking energy: -18.789
Base-Backbone interact. energy: -0.593
local terms energy: -52.217729
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -210.737691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.737691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.737691 (E_RNA)
where:
Base-Base interactions energy: -133.842
where: short stacking energy: -72.567
Base-Backbone interact. energy: -0.128
local terms energy: -76.767515
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -211.636839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.636839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636839 (E_RNA)
where:
Base-Base interactions energy: -124.968
where: short stacking energy: -73.771
Base-Backbone interact. energy: -0.072
local terms energy: -86.597335
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -208.335041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.335041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.335041 (E_RNA)
where:
Base-Base interactions energy: -125.571
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.142
local terms energy: -82.621998
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -169.055293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.055293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.055293 (E_RNA)
where:
Base-Base interactions energy: -101.749
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.013
local terms energy: -67.293483
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -159.081994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.081994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.081994 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -49.283
Base-Backbone interact. energy: -0.197
local terms energy: -71.080585
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -100.037726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.037726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.037726 (E_RNA)
where:
Base-Base interactions energy: -43.609
where: short stacking energy: -43.609
Base-Backbone interact. energy: -0.316
local terms energy: -56.112647
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -95.321867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.321867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.321867 (E_RNA)
where:
Base-Base interactions energy: -41.418
where: short stacking energy: -23.795
Base-Backbone interact. energy: -0.492
local terms energy: -53.411033
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -105.724549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.724549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.724549 (E_RNA)
where:
Base-Base interactions energy: -45.730
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.012
local terms energy: -59.982557
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -75.977088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.977088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.977088 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -23.265
Base-Backbone interact. energy: -0.350
local terms energy: -45.748863
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: 3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -80.219080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.219080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.219080 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.847
local terms energy: -45.294995
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -6.127
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: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -217.671256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.671256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.671256 (E_RNA)
where:
Base-Base interactions energy: -141.424
where: short stacking energy: -66.638
Base-Backbone interact. energy: -0.029
local terms energy: -76.218463
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -208.557132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.557132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.557132 (E_RNA)
where:
Base-Base interactions energy: -134.304
where: short stacking energy: -80.345
Base-Backbone interact. energy: -0.008
local terms energy: -74.245388
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -204.380296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.380296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.380296 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -72.946
Base-Backbone interact. energy: -0.043
local terms energy: -71.593561
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -164.689077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.689077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.689077 (E_RNA)
where:
Base-Base interactions energy: -97.892
where: short stacking energy: -51.014
Base-Backbone interact. energy: -0.109
local terms energy: -66.687254
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -170.324279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.324279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.324279 (E_RNA)
where:
Base-Base interactions energy: -101.036
where: short stacking energy: -51.834
Base-Backbone interact. energy: 1.108
local terms energy: -70.395752
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -9.190
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: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -108.913132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.913132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.913132 (E_RNA)
where:
Base-Base interactions energy: -45.218
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.116
local terms energy: -63.579645
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -6.394
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: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -105.768560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.768560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.768560 (E_RNA)
where:
Base-Base interactions energy: -45.275
where: short stacking energy: -39.521
Base-Backbone interact. energy: -0.335
local terms energy: -60.158189
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -6.456
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: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -95.885551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.885551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.885551 (E_RNA)
where:
Base-Base interactions energy: -32.909
where: short stacking energy: -32.909
Base-Backbone interact. energy: -0.012
local terms energy: -62.964290
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -97.806132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.806132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.806132 (E_RNA)
where:
Base-Base interactions energy: -37.029
where: short stacking energy: -37.029
Base-Backbone interact. energy: -0.019
local terms energy: -60.757712
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -80.712460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.712460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.712460 (E_RNA)
where:
Base-Base interactions energy: -36.685
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.192
local terms energy: -43.835561
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -207.065900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.065900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.065900 (E_RNA)
where:
Base-Base interactions energy: -127.096
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.007
local terms energy: -79.963277
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -193.186296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.186296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.186296 (E_RNA)
where:
Base-Base interactions energy: -117.020
where: short stacking energy: -62.349
Base-Backbone interact. energy: 0.085
local terms energy: -76.251347
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -198.101442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.101442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.101442 (E_RNA)
where:
Base-Base interactions energy: -123.774
where: short stacking energy: -71.763
Base-Backbone interact. energy: 0.390
local terms energy: -74.716796
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -172.697470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.697470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.697470 (E_RNA)
where:
Base-Base interactions energy: -94.272
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.098
local terms energy: -78.327631
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -17.615
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: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -152.878735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.878735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.878735 (E_RNA)
where:
Base-Base interactions energy: -88.670
where: short stacking energy: -47.710
Base-Backbone interact. energy: -0.082
local terms energy: -64.126578
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -133.335901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.335901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.335901 (E_RNA)
where:
Base-Base interactions energy: -72.959
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.188
local terms energy: -60.189274
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -93.297484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.297484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.297484 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.015
local terms energy: -50.540854
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -8.783
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: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -97.229698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.229698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.229698 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.020
local terms energy: -59.211077
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -8.907
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: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -81.640993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640993 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -38.536
Base-Backbone interact. energy: 0.200
local terms energy: -43.304935
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -84.157572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.157572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.157572 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -26.011
Base-Backbone interact. energy: -0.096
local terms energy: -52.867594
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -0.897
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: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -223.881061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.881061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.881061 (E_RNA)
where:
Base-Base interactions energy: -142.587
where: short stacking energy: -75.958
Base-Backbone interact. energy: 0.878
local terms energy: -82.172848
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -200.700251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.700251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.700251 (E_RNA)
where:
Base-Base interactions energy: -132.677
where: short stacking energy: -60.150
Base-Backbone interact. energy: 1.153
local terms energy: -69.176245
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -189.329815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.329815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.329815 (E_RNA)
where:
Base-Base interactions energy: -112.753
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.024
local terms energy: -76.552508
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -164.006516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.006516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.006516 (E_RNA)
where:
Base-Base interactions energy: -103.401
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.235
local terms energy: -60.370535
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -9.238
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: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -155.938818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.938818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.938818 (E_RNA)
where:
Base-Base interactions energy: -95.439
where: short stacking energy: -46.629
Base-Backbone interact. energy: -0.008
local terms energy: -60.491845
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -15.517
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: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -111.164414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.164414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.164414 (E_RNA)
where:
Base-Base interactions energy: -52.011
where: short stacking energy: -39.703
Base-Backbone interact. energy: -0.635
local terms energy: -58.518877
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -104.915860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.915860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.915860 (E_RNA)
where:
Base-Base interactions energy: -55.637
where: short stacking energy: -40.384
Base-Backbone interact. energy: -0.120
local terms energy: -49.158783
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -5.329
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: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -79.745656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.745656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.745656 (E_RNA)
where:
Base-Base interactions energy: -23.602
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.118
local terms energy: -56.025389
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: 2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -91.558608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.558608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.558608 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -30.342
Base-Backbone interact. energy: -0.196
local terms energy: -53.538085
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -12.315
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -83.202487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202487 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.105
local terms energy: -49.333910
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -216.402496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402496 (E_RNA)
where:
Base-Base interactions energy: -137.581
where: short stacking energy: -75.885
Base-Backbone interact. energy: -0.715
local terms energy: -78.106314
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -210.812121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.812121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.812121 (E_RNA)
where:
Base-Base interactions energy: -132.803
where: short stacking energy: -71.689
Base-Backbone interact. energy: -0.010
local terms energy: -77.998508
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -21.214
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: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -186.468082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.468082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.468082 (E_RNA)
where:
Base-Base interactions energy: -114.453
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.089
local terms energy: -71.926225
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -179.466470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.466470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.466470 (E_RNA)
where:
Base-Base interactions energy: -109.783
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.225
local terms energy: -69.458572
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -172.831811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.831811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.831811 (E_RNA)
where:
Base-Base interactions energy: -110.714
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.250
local terms energy: -61.867692
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -103.371133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.371133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.371133 (E_RNA)
where:
Base-Base interactions energy: -48.109
where: short stacking energy: -48.109
Base-Backbone interact. energy: -0.165
local terms energy: -55.097524
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -98.425786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.425786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.425786 (E_RNA)
where:
Base-Base interactions energy: -37.841
where: short stacking energy: -38.641
Base-Backbone interact. energy: -0.155
local terms energy: -60.429236
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -87.401601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.401601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.401601 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -25.546
Base-Backbone interact. energy: -0.346
local terms energy: -55.700745
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -6.960
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: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -94.478279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.478279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.478279 (E_RNA)
where:
Base-Base interactions energy: -38.001
where: short stacking energy: -31.303
Base-Backbone interact. energy: 0.638
local terms energy: -57.115419
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -87.348686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.348686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.348686 (E_RNA)
where:
Base-Base interactions energy: -36.787
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.149
local terms energy: -50.413313
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -217.870551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.870551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.870551 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -81.982
Base-Backbone interact. energy: -0.083
local terms energy: -82.706151
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -192.428849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.428849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.428849 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.062
local terms energy: -76.293823
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -15.938
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: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -202.918619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.918619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.918619 (E_RNA)
where:
Base-Base interactions energy: -124.628
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.037
local terms energy: -78.253611
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -22.328
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -180.740071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.740071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.740071 (E_RNA)
where:
Base-Base interactions energy: -101.824
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.545
local terms energy: -78.371175
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -155.585559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.585559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.585559 (E_RNA)
where:
Base-Base interactions energy: -93.796
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.006
local terms energy: -61.783340
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -97.256696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.256696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.256696 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -40.819
Base-Backbone interact. energy: 0.542
local terms energy: -56.979596
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -4.487
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: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -90.256257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.256257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.256257 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.324
local terms energy: -57.319299
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -1.604
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -90.913408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.913408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.913408 (E_RNA)
where:
Base-Base interactions energy: -38.543
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.087
local terms energy: -52.283541
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.577
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: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -89.745484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.745484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.745484 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -24.793
Base-Backbone interact. energy: -0.204
local terms energy: -51.407745
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -76.510337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.510337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.510337 (E_RNA)
where:
Base-Base interactions energy: -26.529
where: short stacking energy: -19.810
Base-Backbone interact. energy: 1.888
local terms energy: -51.868865
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -206.170994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.170994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.170994 (E_RNA)
where:
Base-Base interactions energy: -124.201
where: short stacking energy: -66.668
Base-Backbone interact. energy: -0.013
local terms energy: -81.956949
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -191.875281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.875281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.875281 (E_RNA)
where:
Base-Base interactions energy: -114.938
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.086
local terms energy: -76.851905
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -210.721559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.721559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.721559 (E_RNA)
where:
Base-Base interactions energy: -129.110
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.027
local terms energy: -81.583725
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -190.496230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.496230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.496230 (E_RNA)
where:
Base-Base interactions energy: -120.112
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.010
local terms energy: -70.375095
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -156.235607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.235607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.235607 (E_RNA)
where:
Base-Base interactions energy: -96.722
where: short stacking energy: -51.498
Base-Backbone interact. energy: -0.014
local terms energy: -59.499533
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -113.344775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.344775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.344775 (E_RNA)
where:
Base-Base interactions energy: -47.815
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.005
local terms energy: -65.524830
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -14.244
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: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -92.793018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.793018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.793018 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.054
local terms energy: -59.295349
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -82.152192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.152192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.152192 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -28.311
Base-Backbone interact. energy: -0.421
local terms energy: -45.700562
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -3.368
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -122.696509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.696509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.696509 (E_RNA)
where:
Base-Base interactions energy: -64.172
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.272
local terms energy: -58.252836
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -79.901240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.901240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.901240 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -21.219
Base-Backbone interact. energy: -0.280
local terms energy: -54.237618
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -208.225841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.225841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.225841 (E_RNA)
where:
Base-Base interactions energy: -125.773
where: short stacking energy: -77.148
Base-Backbone interact. energy: -0.048
local terms energy: -82.404005
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -19.492
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: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -215.253250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.253250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.253250 (E_RNA)
where:
Base-Base interactions energy: -136.534
where: short stacking energy: -78.524
Base-Backbone interact. energy: -0.095
local terms energy: -78.624712
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -22.121
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -196.911075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.911075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.911075 (E_RNA)
where:
Base-Base interactions energy: -115.715
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.104
local terms energy: -81.092511
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -168.286095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.286095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.286095 (E_RNA)
where:
Base-Base interactions energy: -103.886
where: short stacking energy: -57.430
Base-Backbone interact. energy: -0.129
local terms energy: -64.271258
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -168.869280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.869280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.869280 (E_RNA)
where:
Base-Base interactions energy: -97.197
where: short stacking energy: -44.769
Base-Backbone interact. energy: -0.641
local terms energy: -71.031187
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.549
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: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -114.179051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.179051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.179051 (E_RNA)
where:
Base-Base interactions energy: -51.721
where: short stacking energy: -47.020
Base-Backbone interact. energy: -0.079
local terms energy: -62.379291
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -11.544
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: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -104.434464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.434464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.434464 (E_RNA)
where:
Base-Base interactions energy: -40.733
where: short stacking energy: -40.861
Base-Backbone interact. energy: -0.138
local terms energy: -63.563437
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -129.289771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.289771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.289771 (E_RNA)
where:
Base-Base interactions energy: -78.306
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.259
local terms energy: -50.725354
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -77.499274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.499274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.499274 (E_RNA)
where:
Base-Base interactions energy: -25.574
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.219
local terms energy: -51.706312
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: 3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -86.240187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.240187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.240187 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.013
local terms energy: -53.132268
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -217.168155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.168155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.168155 (E_RNA)
where:
Base-Base interactions energy: -129.942
where: short stacking energy: -76.632
Base-Backbone interact. energy: -0.006
local terms energy: -87.219838
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -23.691
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: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -208.161929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.161929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.161929 (E_RNA)
where:
Base-Base interactions energy: -135.798
where: short stacking energy: -68.192
Base-Backbone interact. energy: 0.604
local terms energy: -72.967347
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -176.150606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.150606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.150606 (E_RNA)
where:
Base-Base interactions energy: -107.338
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.091
local terms energy: -68.721742
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -186.058864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.058864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.058864 (E_RNA)
where:
Base-Base interactions energy: -116.176
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.001
local terms energy: -69.882380
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -164.919331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.919331 (E_RNA)
where:
Base-Base interactions energy: -101.908
where: short stacking energy: -56.505
Base-Backbone interact. energy: -0.301
local terms energy: -62.709999
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -104.594863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.594863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.594863 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -42.302
Base-Backbone interact. energy: -0.013
local terms energy: -62.279906
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -141.724049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.724049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.724049 (E_RNA)
where:
Base-Base interactions energy: -86.120
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.086
local terms energy: -55.518010
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -95.963723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963723 (E_RNA)
where:
Base-Base interactions energy: -37.923
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.351
local terms energy: -57.688946
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -91.713508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.713508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.713508 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -25.283
Base-Backbone interact. energy: 0.579
local terms energy: -61.543716
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -98.430153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.430153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.430153 (E_RNA)
where:
Base-Base interactions energy: -43.406
where: short stacking energy: -42.320
Base-Backbone interact. energy: -0.214
local terms energy: -54.809755
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -215.986516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.986516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.986516 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -76.958
Base-Backbone interact. energy: 0.732
local terms energy: -87.140486
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -197.529699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.529699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.529699 (E_RNA)
where:
Base-Base interactions energy: -118.200
where: short stacking energy: -73.960
Base-Backbone interact. energy: -0.001
local terms energy: -79.329097
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -175.687579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.687579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.687579 (E_RNA)
where:
Base-Base interactions energy: -107.740
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.094
local terms energy: -67.853050
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.306
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: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -185.785904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.785904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.785904 (E_RNA)
where:
Base-Base interactions energy: -108.887
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.009
local terms energy: -76.890337
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -173.314593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.314593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.314593 (E_RNA)
where:
Base-Base interactions energy: -101.752
where: short stacking energy: -56.087
Base-Backbone interact. energy: -0.340
local terms energy: -71.222586
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -143.894700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.894700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.894700 (E_RNA)
where:
Base-Base interactions energy: -80.572
where: short stacking energy: -43.999
Base-Backbone interact. energy: -0.241
local terms energy: -63.081727
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -99.765346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.765346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.765346 (E_RNA)
where:
Base-Base interactions energy: -42.931
where: short stacking energy: -39.513
Base-Backbone interact. energy: 0.083
local terms energy: -56.917551
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -4.127
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: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -86.485365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.485365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.485365 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.328
local terms energy: -56.324602
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -90.990325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.990325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.990325 (E_RNA)
where:
Base-Base interactions energy: -47.282
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.491
local terms energy: -43.217569
where:
bonds (distance) C4'-P energy: -6.451
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: 1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -98.009316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.009316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.009316 (E_RNA)
where:
Base-Base interactions energy: -44.971
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.035
local terms energy: -53.003165
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -8.406
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: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -225.849877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849877 (E_RNA)
where:
Base-Base interactions energy: -137.790
where: short stacking energy: -81.280
Base-Backbone interact. energy: -0.011
local terms energy: -88.048485
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -200.564317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.564317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.564317 (E_RNA)
where:
Base-Base interactions energy: -118.022
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.004
local terms energy: -82.537874
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -198.482668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.482668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.482668 (E_RNA)
where:
Base-Base interactions energy: -122.025
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.016
local terms energy: -76.441749
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -21.609
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: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -158.239139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.239139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.239139 (E_RNA)
where:
Base-Base interactions energy: -89.601
where: short stacking energy: -54.134
Base-Backbone interact. energy: 0.606
local terms energy: -69.244182
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -14.532
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: 252
Temperature: 1.100000
Total energy: -161.400494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.400494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.400494 (E_RNA)
where:
Base-Base interactions energy: -90.486
where: short stacking energy: -47.175
Base-Backbone interact. energy: -0.350
local terms energy: -70.564755
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -150.403765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.403765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.403765 (E_RNA)
where:
Base-Base interactions energy: -86.044
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.098
local terms energy: -64.261764
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -10.348
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: 252
Temperature: 1.200000
Total energy: -119.178111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.178111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.178111 (E_RNA)
where:
Base-Base interactions energy: -60.716
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.142
local terms energy: -58.319884
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -3.696
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: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -102.710977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.710977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.710977 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -40.718
Base-Backbone interact. energy: -0.014
local terms energy: -61.978754
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.635
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: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -80.891660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.891660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.891660 (E_RNA)
where:
Base-Base interactions energy: -28.058
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.148
local terms energy: -52.685332
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -74.877975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.877975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.877975 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.039
local terms energy: -41.426098
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -211.248752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.248752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248752 (E_RNA)
where:
Base-Base interactions energy: -131.683
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.087
local terms energy: -79.478936
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -196.286973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.286973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.286973 (E_RNA)
where:
Base-Base interactions energy: -122.081
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.157
local terms energy: -74.048374
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -185.772818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.772818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.772818 (E_RNA)
where:
Base-Base interactions energy: -107.596
where: short stacking energy: -61.761
Base-Backbone interact. energy: -0.002
local terms energy: -78.174567
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -17.719
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -158.415172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.415172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.415172 (E_RNA)
where:
Base-Base interactions energy: -94.432
where: short stacking energy: -51.062
Base-Backbone interact. energy: -0.113
local terms energy: -63.870187
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -170.579153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.579153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.579153 (E_RNA)
where:
Base-Base interactions energy: -101.954
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.982
local terms energy: -67.643059
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -149.260686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.260686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.260686 (E_RNA)
where:
Base-Base interactions energy: -86.897
where: short stacking energy: -45.455
Base-Backbone interact. energy: -0.599
local terms energy: -61.764507
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -112.123774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.123774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.123774 (E_RNA)
where:
Base-Base interactions energy: -63.298
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.327
local terms energy: -48.498764
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -94.351242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.351242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.351242 (E_RNA)
where:
Base-Base interactions energy: -45.659
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.253
local terms energy: -48.438938
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: 0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -93.145954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145954 (E_RNA)
where:
Base-Base interactions energy: -35.536
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.091
local terms energy: -57.519681
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -2.016
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: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -76.191720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.191720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.191720 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.069
local terms energy: -50.893762
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -4.321
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: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -218.138560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.138560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.138560 (E_RNA)
where:
Base-Base interactions energy: -139.011
where: short stacking energy: -81.165
Base-Backbone interact. energy: -0.010
local terms energy: -79.117723
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -22.116
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -215.354738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.354738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.354738 (E_RNA)
where:
Base-Base interactions energy: -134.626
where: short stacking energy: -79.268
Base-Backbone interact. energy: -0.090
local terms energy: -80.638711
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -193.337127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.337127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.337127 (E_RNA)
where:
Base-Base interactions energy: -118.452
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.005
local terms energy: -74.880305
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -17.584
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -179.791429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.791429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.791429 (E_RNA)
where:
Base-Base interactions energy: -102.706
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.212
local terms energy: -76.873393
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -169.378084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.378084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.378084 (E_RNA)
where:
Base-Base interactions energy: -89.985
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.356
local terms energy: -79.036961
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -154.059160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.059160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.059160 (E_RNA)
where:
Base-Base interactions energy: -90.339
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.350
local terms energy: -63.369406
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.634
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: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -91.010780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010780 (E_RNA)
where:
Base-Base interactions energy: -31.458
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.301
local terms energy: -59.251350
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -86.392410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.392410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.392410 (E_RNA)
where:
Base-Base interactions energy: -36.034
where: short stacking energy: -32.091
Base-Backbone interact. energy: -0.290
local terms energy: -50.067750
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -81.130808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.130808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.130808 (E_RNA)
where:
Base-Base interactions energy: -29.094
where: short stacking energy: -29.094
Base-Backbone interact. energy: 0.099
local terms energy: -52.136420
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -76.143405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.143405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.143405 (E_RNA)
where:
Base-Base interactions energy: -25.964
where: short stacking energy: -16.620
Base-Backbone interact. energy: -0.224
local terms energy: -49.955378
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -228.205485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.205485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.205485 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -84.267
Base-Backbone interact. energy: -1.345
local terms energy: -84.042942
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -219.511998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.511998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.511998 (E_RNA)
where:
Base-Base interactions energy: -134.792
where: short stacking energy: -75.170
Base-Backbone interact. energy: -0.000
local terms energy: -84.719668
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -200.384248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.384248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.384248 (E_RNA)
where:
Base-Base interactions energy: -117.215
where: short stacking energy: -73.156
Base-Backbone interact. energy: -0.000
local terms energy: -83.169257
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -185.887667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.887667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.887667 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.023
local terms energy: -77.208766
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -169.510421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.510421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.510421 (E_RNA)
where:
Base-Base interactions energy: -94.835
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.116
local terms energy: -74.559146
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -154.538314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.538314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.538314 (E_RNA)
where:
Base-Base interactions energy: -90.023
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.239
local terms energy: -64.276747
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.930
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: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -109.836195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.836195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.836195 (E_RNA)
where:
Base-Base interactions energy: -46.642
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.049
local terms energy: -63.144790
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.305
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: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -90.928101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.928101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.928101 (E_RNA)
where:
Base-Base interactions energy: -41.199
where: short stacking energy: -41.199
Base-Backbone interact. energy: -0.158
local terms energy: -49.571430
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -94.250793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.250793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.250793 (E_RNA)
where:
Base-Base interactions energy: -49.652
where: short stacking energy: -41.512
Base-Backbone interact. energy: -0.330
local terms energy: -44.268371
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -5.834
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: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -74.072066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.072066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.072066 (E_RNA)
where:
Base-Base interactions energy: -27.640
where: short stacking energy: -27.640
Base-Backbone interact. energy: -0.249
local terms energy: -46.183760
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -4.644
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: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -213.426500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.426500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.426500 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -75.097
Base-Backbone interact. energy: -0.059
local terms energy: -85.315664
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -209.525094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.525094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.525094 (E_RNA)
where:
Base-Base interactions energy: -129.286
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.019
local terms energy: -80.219573
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -199.991823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.991823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.991823 (E_RNA)
where:
Base-Base interactions energy: -127.657
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.003
local terms energy: -72.331886
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -20.115
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: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -166.036679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.036679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.036679 (E_RNA)
where:
Base-Base interactions energy: -94.414
where: short stacking energy: -56.967
Base-Backbone interact. energy: -0.841
local terms energy: -70.781515
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -154.855532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.855532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.855532 (E_RNA)
where:
Base-Base interactions energy: -86.647
where: short stacking energy: -52.742
Base-Backbone interact. energy: 1.292
local terms energy: -69.500527
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -165.725069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.725069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.725069 (E_RNA)
where:
Base-Base interactions energy: -97.545
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.005
local terms energy: -68.175180
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -96.171358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.171358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.171358 (E_RNA)
where:
Base-Base interactions energy: -37.635
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.138
local terms energy: -58.398581
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -8.450
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: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -92.131832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.131832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.131832 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.148
local terms energy: -54.813061
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -8.860
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -80.763139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.763139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.763139 (E_RNA)
where:
Base-Base interactions energy: -32.904
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.125
local terms energy: -47.734809
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -88.564952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.564952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.564952 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.112
local terms energy: -55.023310
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -6.865
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: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -221.321328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.321328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.321328 (E_RNA)
where:
Base-Base interactions energy: -135.284
where: short stacking energy: -83.349
Base-Backbone interact. energy: -1.111
local terms energy: -84.926694
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -197.452107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.452107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.452107 (E_RNA)
where:
Base-Base interactions energy: -123.244
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.259
local terms energy: -73.949515
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -17.719
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: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -199.984337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.984337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.984337 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -67.067
Base-Backbone interact. energy: 0.090
local terms energy: -77.142872
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -17.665
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: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -156.785244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.785244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.785244 (E_RNA)
where:
Base-Base interactions energy: -87.397
where: short stacking energy: -50.131
Base-Backbone interact. energy: 0.924
local terms energy: -70.311693
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -11.973
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: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -163.632176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.632176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.632176 (E_RNA)
where:
Base-Base interactions energy: -97.508
where: short stacking energy: -53.373
Base-Backbone interact. energy: 0.963
local terms energy: -67.087209
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -140.548205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.548205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.548205 (E_RNA)
where:
Base-Base interactions energy: -80.385
where: short stacking energy: -42.519
Base-Backbone interact. energy: -0.317
local terms energy: -59.845898
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -128.812287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.812287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.812287 (E_RNA)
where:
Base-Base interactions energy: -73.203
where: short stacking energy: -46.216
Base-Backbone interact. energy: -0.233
local terms energy: -55.376262
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -10.370
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -99.028541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.028541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.028541 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.005
local terms energy: -53.518958
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -10.160
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -81.481056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481056 (E_RNA)
where:
Base-Base interactions energy: -21.967
where: short stacking energy: -21.556
Base-Backbone interact. energy: -1.086
local terms energy: -58.428830
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -80.644480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644480 (E_RNA)
where:
Base-Base interactions energy: -26.870
where: short stacking energy: -26.870
Base-Backbone interact. energy: 0.113
local terms energy: -53.887490
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -199.174843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.174843 (E_RNA)
where:
Base-Base interactions energy: -118.917
where: short stacking energy: -68.437
Base-Backbone interact. energy: -0.003
local terms energy: -80.255535
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -215.644627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.644627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.644627 (E_RNA)
where:
Base-Base interactions energy: -133.774
where: short stacking energy: -73.859
Base-Backbone interact. energy: -0.005
local terms energy: -81.865479
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -20.685
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: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -202.925641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925641 (E_RNA)
where:
Base-Base interactions energy: -128.679
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.007
local terms energy: -74.240183
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -169.097820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.097820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097820 (E_RNA)
where:
Base-Base interactions energy: -99.061
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.479
local terms energy: -69.557933
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -13.384
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: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -171.792785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.792785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.792785 (E_RNA)
where:
Base-Base interactions energy: -100.352
where: short stacking energy: -49.901
Base-Backbone interact. energy: -0.108
local terms energy: -71.333019
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -144.473958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.473958 (E_RNA)
where:
Base-Base interactions energy: -77.040
where: short stacking energy: -47.567
Base-Backbone interact. energy: -0.054
local terms energy: -67.379851
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -10.583
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -97.867512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867512 (E_RNA)
where:
Base-Base interactions energy: -44.719
where: short stacking energy: -36.951
Base-Backbone interact. energy: -0.143
local terms energy: -53.005610
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -123.178482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.178482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.178482 (E_RNA)
where:
Base-Base interactions energy: -73.818
where: short stacking energy: -39.473
Base-Backbone interact. energy: -0.131
local terms energy: -49.229419
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -3.083
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: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -84.037986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.037986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.037986 (E_RNA)
where:
Base-Base interactions energy: -33.379
where: short stacking energy: -29.107
Base-Backbone interact. energy: 0.382
local terms energy: -51.041502
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -89.340362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340362 (E_RNA)
where:
Base-Base interactions energy: -43.399
where: short stacking energy: -42.815
Base-Backbone interact. energy: -0.213
local terms energy: -45.727855
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -194.428401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.428401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.428401 (E_RNA)
where:
Base-Base interactions energy: -117.829
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.005
local terms energy: -76.594019
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -213.927218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.927218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.927218 (E_RNA)
where:
Base-Base interactions energy: -130.228
where: short stacking energy: -73.664
Base-Backbone interact. energy: -0.005
local terms energy: -83.693820
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -24.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -205.776781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.776781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.776781 (E_RNA)
where:
Base-Base interactions energy: -123.436
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.023
local terms energy: -82.318478
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -173.963290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.963290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.963290 (E_RNA)
where:
Base-Base interactions energy: -100.610
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.648
local terms energy: -72.705149
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -170.047991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.047991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.047991 (E_RNA)
where:
Base-Base interactions energy: -95.838
where: short stacking energy: -49.565
Base-Backbone interact. energy: -0.288
local terms energy: -73.921740
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -12.748
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: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -114.221723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.221723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.221723 (E_RNA)
where:
Base-Base interactions energy: -52.057
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.089
local terms energy: -62.075444
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -140.051993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.051993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.051993 (E_RNA)
where:
Base-Base interactions energy: -73.500
where: short stacking energy: -38.117
Base-Backbone interact. energy: -0.805
local terms energy: -65.746686
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -8.681
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: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -134.854842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.854842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.854842 (E_RNA)
where:
Base-Base interactions energy: -79.330
where: short stacking energy: -41.470
Base-Backbone interact. energy: 1.895
local terms energy: -57.419343
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.520
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: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -91.951132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.951132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.951132 (E_RNA)
where:
Base-Base interactions energy: -42.133
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.248
local terms energy: -49.569426
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -78.809994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.809994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.809994 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -29.578
Base-Backbone interact. energy: 1.422
local terms energy: -46.590650
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -5.062
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -217.873939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.873939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.873939 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -74.827
Base-Backbone interact. energy: -0.131
local terms energy: -86.178445
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -22.795
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: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -203.265334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.265334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.265334 (E_RNA)
where:
Base-Base interactions energy: -127.217
where: short stacking energy: -72.662
Base-Backbone interact. energy: -0.008
local terms energy: -76.040189
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -172.310956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.310956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.310956 (E_RNA)
where:
Base-Base interactions energy: -100.550
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.449
local terms energy: -71.312542
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -11.988
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: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -188.274024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.274024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.274024 (E_RNA)
where:
Base-Base interactions energy: -110.305
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.024
local terms energy: -77.945442
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -181.699698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.699698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.699698 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.074
local terms energy: -77.829927
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -119.986285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.986285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.986285 (E_RNA)
where:
Base-Base interactions energy: -57.450
where: short stacking energy: -40.977
Base-Backbone interact. energy: -0.029
local terms energy: -62.506574
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -139.197232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.197232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.197232 (E_RNA)
where:
Base-Base interactions energy: -82.547
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.155
local terms energy: -56.495149
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -137.642732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.642732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.642732 (E_RNA)
where:
Base-Base interactions energy: -83.313
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.023
local terms energy: -54.306391
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -90.525920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525920 (E_RNA)
where:
Base-Base interactions energy: -34.400
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.131
local terms energy: -55.994988
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -109.097899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.097899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.097899 (E_RNA)
where:
Base-Base interactions energy: -47.874
where: short stacking energy: -22.290
Base-Backbone interact. energy: -1.126
local terms energy: -60.097739
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -7.481
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: 261
Temperature: 0.900000
Total energy: -228.236547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.236547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236547 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -82.660
Base-Backbone interact. energy: -0.239
local terms energy: -87.266239
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -25.234
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -202.392376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.392376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.392376 (E_RNA)
where:
Base-Base interactions energy: -131.136
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.052
local terms energy: -71.204159
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -170.069277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.069277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.069277 (E_RNA)
where:
Base-Base interactions energy: -104.510
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.142
local terms energy: -65.417794
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -10.262
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: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -191.479030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.479030 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -70.180
Base-Backbone interact. energy: 1.125
local terms energy: -72.101102
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -19.529
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: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -159.377078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.377078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.377078 (E_RNA)
where:
Base-Base interactions energy: -97.548
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.036
local terms energy: -61.793484
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -151.387948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.387948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.387948 (E_RNA)
where:
Base-Base interactions energy: -91.962
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.063
local terms energy: -59.362772
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -104.647727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.647727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.647727 (E_RNA)
where:
Base-Base interactions energy: -58.145
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.155
local terms energy: -46.347343
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -123.394587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.394587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.394587 (E_RNA)
where:
Base-Base interactions energy: -59.708
where: short stacking energy: -31.443
Base-Backbone interact. energy: -0.318
local terms energy: -63.368835
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -9.059
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: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -93.166369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.166369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.166369 (E_RNA)
where:
Base-Base interactions energy: -43.336
where: short stacking energy: -30.811
Base-Backbone interact. energy: 1.779
local terms energy: -51.609204
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: 1.578
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: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.651796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.651796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.651796 (E_RNA)
where:
Base-Base interactions energy: -37.806
where: short stacking energy: -24.809
Base-Backbone interact. energy: -0.018
local terms energy: -46.827847
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -0.519
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: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -210.404629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.404629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.404629 (E_RNA)
where:
Base-Base interactions energy: -128.643
where: short stacking energy: -69.865
Base-Backbone interact. energy: 0.306
local terms energy: -82.067364
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -200.331965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.331965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.331965 (E_RNA)
where:
Base-Base interactions energy: -124.591
where: short stacking energy: -75.147
Base-Backbone interact. energy: -0.000
local terms energy: -75.740592
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -197.675637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.675637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.675637 (E_RNA)
where:
Base-Base interactions energy: -122.456
where: short stacking energy: -73.938
Base-Backbone interact. energy: -0.072
local terms energy: -75.147889
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -182.165428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.165428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.165428 (E_RNA)
where:
Base-Base interactions energy: -109.131
where: short stacking energy: -63.155
Base-Backbone interact. energy: -0.090
local terms energy: -72.943932
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -16.001
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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -166.351717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.351717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.351717 (E_RNA)
where:
Base-Base interactions energy: -95.862
where: short stacking energy: -55.411
Base-Backbone interact. energy: -0.102
local terms energy: -70.387646
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -17.517
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: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -150.763407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.763407 (E_RNA)
where:
Base-Base interactions energy: -77.785
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.792
local terms energy: -72.185736
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -96.410768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.410768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.410768 (E_RNA)
where:
Base-Base interactions energy: -44.094
where: short stacking energy: -44.094
Base-Backbone interact. energy: 0.060
local terms energy: -52.376831
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -8.208
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: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -97.101467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.101467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.101467 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.048
local terms energy: -56.955065
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -99.618628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.618628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.618628 (E_RNA)
where:
Base-Base interactions energy: -44.069
where: short stacking energy: -40.882
Base-Backbone interact. energy: -0.069
local terms energy: -55.480807
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.294
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -79.447730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.447730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.447730 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -27.688
Base-Backbone interact. energy: -0.021
local terms energy: -44.101789
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -221.520080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.520080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.520080 (E_RNA)
where:
Base-Base interactions energy: -133.509
where: short stacking energy: -76.959
Base-Backbone interact. energy: -0.181
local terms energy: -87.829499
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -213.914063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.914063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.914063 (E_RNA)
where:
Base-Base interactions energy: -129.164
where: short stacking energy: -76.328
Base-Backbone interact. energy: -0.012
local terms energy: -84.737683
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -22.820
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: 263
Temperature: 1.000000
Total energy: -196.142954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.142954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.142954 (E_RNA)
where:
Base-Base interactions energy: -120.417
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.124
local terms energy: -75.602388
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -179.688075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.688075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.688075 (E_RNA)
where:
Base-Base interactions energy: -111.110
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.065
local terms energy: -68.513314
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -163.509378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.509378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.509378 (E_RNA)
where:
Base-Base interactions energy: -88.609
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.004
local terms energy: -74.896988
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -16.130
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: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -153.913629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.913629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.913629 (E_RNA)
where:
Base-Base interactions energy: -85.405
where: short stacking energy: -48.721
Base-Backbone interact. energy: -0.130
local terms energy: -68.378704
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -15.975
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: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -114.776750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.776750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.776750 (E_RNA)
where:
Base-Base interactions energy: -46.138
where: short stacking energy: -46.138
Base-Backbone interact. energy: -0.096
local terms energy: -68.541918
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -118.955770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.955770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.955770 (E_RNA)
where:
Base-Base interactions energy: -62.272
where: short stacking energy: -29.457
Base-Backbone interact. energy: -0.317
local terms energy: -56.366731
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -7.758
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: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -78.372939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.372939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.372939 (E_RNA)
where:
Base-Base interactions energy: -27.744
where: short stacking energy: -27.718
Base-Backbone interact. energy: 0.024
local terms energy: -50.652690
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -85.680581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680581 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.182
local terms energy: -57.388786
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -5.836
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: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -208.629687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.629687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.629687 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -63.999
Base-Backbone interact. energy: -0.023
local terms energy: -85.986446
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -211.903379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.903379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.903379 (E_RNA)
where:
Base-Base interactions energy: -130.933
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.011
local terms energy: -80.958692
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -187.630227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.630227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.630227 (E_RNA)
where:
Base-Base interactions energy: -116.131
where: short stacking energy: -65.417
Base-Backbone interact. energy: -0.104
local terms energy: -71.395495
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -189.757506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.757506 (E_RNA)
where:
Base-Base interactions energy: -119.162
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.085
local terms energy: -70.510313
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -17.771
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: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -177.694584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.694584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.694584 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.037
local terms energy: -75.512350
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -159.121966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.121966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.121966 (E_RNA)
where:
Base-Base interactions energy: -96.932
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.009
local terms energy: -62.181575
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -96.509377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.509377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.509377 (E_RNA)
where:
Base-Base interactions energy: -47.408
where: short stacking energy: -39.776
Base-Backbone interact. energy: -0.278
local terms energy: -48.822435
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -94.895750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.895750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.895750 (E_RNA)
where:
Base-Base interactions energy: -35.563
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.190
local terms energy: -59.143128
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -90.969066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.969066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.969066 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.219
local terms energy: -53.787436
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -4.463
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: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -89.422364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.422364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.422364 (E_RNA)
where:
Base-Base interactions energy: -41.228
where: short stacking energy: -26.066
Base-Backbone interact. energy: 1.126
local terms energy: -49.320270
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -5.715
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: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -219.248802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.248802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.248802 (E_RNA)
where:
Base-Base interactions energy: -136.750
where: short stacking energy: -69.182
Base-Backbone interact. energy: 1.388
local terms energy: -83.887190
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -20.402
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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -219.397671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.397671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.397671 (E_RNA)
where:
Base-Base interactions energy: -136.975
where: short stacking energy: -87.828
Base-Backbone interact. energy: -0.392
local terms energy: -82.030392
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -177.752780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.752780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.752780 (E_RNA)
where:
Base-Base interactions energy: -103.103
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.079
local terms energy: -74.571019
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -191.226556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.226556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.226556 (E_RNA)
where:
Base-Base interactions energy: -110.586
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.088
local terms energy: -80.553293
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -165.148608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.148608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.148608 (E_RNA)
where:
Base-Base interactions energy: -94.941
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.060
local terms energy: -70.147468
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -149.964902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.964902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.964902 (E_RNA)
where:
Base-Base interactions energy: -81.929
where: short stacking energy: -46.072
Base-Backbone interact. energy: -0.078
local terms energy: -67.957768
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -103.145653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.145653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.145653 (E_RNA)
where:
Base-Base interactions energy: -50.343
where: short stacking energy: -39.684
Base-Backbone interact. energy: -0.120
local terms energy: -52.683435
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -6.512
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: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -83.971966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.971966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.971966 (E_RNA)
where:
Base-Base interactions energy: -27.571
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.145
local terms energy: -56.255784
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -95.686282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686282 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -38.828
Base-Backbone interact. energy: -0.030
local terms energy: -56.748864
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -8.255
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: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -90.130642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.130642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.130642 (E_RNA)
where:
Base-Base interactions energy: -34.016
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.434
local terms energy: -55.680536
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -215.070846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.070846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.070846 (E_RNA)
where:
Base-Base interactions energy: -134.673
where: short stacking energy: -79.320
Base-Backbone interact. energy: -0.151
local terms energy: -80.247043
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -22.454
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: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -213.506484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.506484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.506484 (E_RNA)
where:
Base-Base interactions energy: -129.931
where: short stacking energy: -72.487
Base-Backbone interact. energy: -0.056
local terms energy: -83.519435
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -193.563359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.563359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.563359 (E_RNA)
where:
Base-Base interactions energy: -114.459
where: short stacking energy: -64.205
Base-Backbone interact. energy: 0.428
local terms energy: -79.531696
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -13.873
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: 266
Temperature: 1.050000
Total energy: -177.114253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.114253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.114253 (E_RNA)
where:
Base-Base interactions energy: -106.787
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.035
local terms energy: -70.292263
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -164.461007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.461007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.461007 (E_RNA)
where:
Base-Base interactions energy: -100.135
where: short stacking energy: -50.886
Base-Backbone interact. energy: -0.648
local terms energy: -63.678352
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -165.939887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.939887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.939887 (E_RNA)
where:
Base-Base interactions energy: -99.507
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.018
local terms energy: -66.415159
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -17.713
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -95.902925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.902925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.902925 (E_RNA)
where:
Base-Base interactions energy: -41.838
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.215
local terms energy: -53.849512
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -94.146126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146126 (E_RNA)
where:
Base-Base interactions energy: -45.072
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.042
local terms energy: -49.031683
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -91.172441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172441 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.234
local terms energy: -48.493867
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -83.948436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.948436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.948436 (E_RNA)
where:
Base-Base interactions energy: -33.986
where: short stacking energy: -31.736
Base-Backbone interact. energy: -0.361
local terms energy: -49.601231
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -219.150817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.150817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.150817 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -74.330
Base-Backbone interact. energy: -0.002
local terms energy: -86.842143
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -26.656
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: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -186.109876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.109876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.109876 (E_RNA)
where:
Base-Base interactions energy: -115.657
where: short stacking energy: -63.487
Base-Backbone interact. energy: 0.604
local terms energy: -71.056994
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -194.922292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.922292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.922292 (E_RNA)
where:
Base-Base interactions energy: -123.248
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.003
local terms energy: -71.671298
where:
bonds (distance) C4'-P energy: -4.415
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -18.946
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: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -173.062728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.062728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.062728 (E_RNA)
where:
Base-Base interactions energy: -99.889
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.030
local terms energy: -73.143535
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -174.823020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.823020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.823020 (E_RNA)
where:
Base-Base interactions energy: -105.355
where: short stacking energy: -62.586
Base-Backbone interact. energy: -0.121
local terms energy: -69.347108
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.881
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: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -165.038432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.038432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.038432 (E_RNA)
where:
Base-Base interactions energy: -95.790
where: short stacking energy: -51.702
Base-Backbone interact. energy: -0.191
local terms energy: -69.057478
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -83.587149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.587149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.587149 (E_RNA)
where:
Base-Base interactions energy: -28.214
where: short stacking energy: -22.941
Base-Backbone interact. energy: 0.445
local terms energy: -55.817663
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -94.741352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741352 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.058
local terms energy: -54.319616
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -83.347920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.347920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.347920 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -35.814
Base-Backbone interact. energy: 1.164
local terms energy: -48.052425
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -83.750559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.750559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.750559 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.229
local terms energy: -52.805290
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -225.498777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.498777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.498777 (E_RNA)
where:
Base-Base interactions energy: -136.233
where: short stacking energy: -78.352
Base-Backbone interact. energy: -1.101
local terms energy: -88.164346
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -217.457483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.457483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.457483 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.094
local terms energy: -82.323445
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -184.743691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.743691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.743691 (E_RNA)
where:
Base-Base interactions energy: -112.473
where: short stacking energy: -62.527
Base-Backbone interact. energy: -0.481
local terms energy: -71.789840
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -158.969576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.969576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.969576 (E_RNA)
where:
Base-Base interactions energy: -98.253
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.045
local terms energy: -60.672259
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -153.984334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.984334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.984334 (E_RNA)
where:
Base-Base interactions energy: -96.758
where: short stacking energy: -54.272
Base-Backbone interact. energy: -0.085
local terms energy: -57.141449
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -169.172601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.172601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.172601 (E_RNA)
where:
Base-Base interactions energy: -100.351
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.009
local terms energy: -68.812698
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -94.480321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480321 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -38.555
Base-Backbone interact. energy: -0.276
local terms energy: -55.649909
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -87.220117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.220117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.220117 (E_RNA)
where:
Base-Base interactions energy: -32.603
where: short stacking energy: -32.603
Base-Backbone interact. energy: 1.209
local terms energy: -55.827023
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -101.984425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.984425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.984425 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -40.460
Base-Backbone interact. energy: -0.087
local terms energy: -61.436700
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -9.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -92.381031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381031 (E_RNA)
where:
Base-Base interactions energy: -37.005
where: short stacking energy: -37.005
Base-Backbone interact. energy: -0.041
local terms energy: -55.335293
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -216.061120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.061120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.061120 (E_RNA)
where:
Base-Base interactions energy: -128.380
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.030
local terms energy: -87.650824
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -210.885112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.885112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.885112 (E_RNA)
where:
Base-Base interactions energy: -132.423
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.150
local terms energy: -78.312356
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -180.646532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.646532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.646532 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.079
local terms energy: -64.704290
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -156.644876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.644876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.644876 (E_RNA)
where:
Base-Base interactions energy: -92.992
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.144
local terms energy: -63.509042
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -158.374532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.374532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.374532 (E_RNA)
where:
Base-Base interactions energy: -92.525
where: short stacking energy: -50.455
Base-Backbone interact. energy: 0.310
local terms energy: -66.159449
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -9.825
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: 269
Temperature: 1.150000
Total energy: -153.173527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.173527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.173527 (E_RNA)
where:
Base-Base interactions energy: -90.156
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.194
local terms energy: -62.822831
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -103.538174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.538174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.538174 (E_RNA)
where:
Base-Base interactions energy: -49.530
where: short stacking energy: -44.141
Base-Backbone interact. energy: 3.500
local terms energy: -57.507854
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -8.855
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: 269
Temperature: 1.250000
Total energy: -100.659329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.659329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.659329 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -31.806
Base-Backbone interact. energy: -0.011
local terms energy: -60.175019
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -89.030070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.030070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.030070 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -31.433
Base-Backbone interact. energy: 0.480
local terms energy: -53.175942
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -83.450858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450858 (E_RNA)
where:
Base-Base interactions energy: -30.432
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.322
local terms energy: -52.696103
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -1.551
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -221.228548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.228548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.228548 (E_RNA)
where:
Base-Base interactions energy: -139.814
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.011
local terms energy: -81.404300
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -212.980711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.980711 (E_RNA)
where:
Base-Base interactions energy: -126.894
where: short stacking energy: -75.614
Base-Backbone interact. energy: -0.001
local terms energy: -86.085547
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -191.408541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.408541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.408541 (E_RNA)
where:
Base-Base interactions energy: -113.591
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.076
local terms energy: -77.740830
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -168.567081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.567081 (E_RNA)
where:
Base-Base interactions energy: -96.928
where: short stacking energy: -56.157
Base-Backbone interact. energy: -1.326
local terms energy: -70.313513
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -160.174312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.174312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.174312 (E_RNA)
where:
Base-Base interactions energy: -102.455
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.118
local terms energy: -57.600917
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -143.287484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.287484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.287484 (E_RNA)
where:
Base-Base interactions energy: -85.963
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.088
local terms energy: -57.236724
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -9.180
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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -95.699519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.699519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.699519 (E_RNA)
where:
Base-Base interactions energy: -36.418
where: short stacking energy: -36.418
Base-Backbone interact. energy: -0.424
local terms energy: -58.856863
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -88.886940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.886940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.886940 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -25.122
Base-Backbone interact. energy: -0.603
local terms energy: -56.602831
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -91.163757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.163757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.163757 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.030
local terms energy: -53.310799
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -5.440
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: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -81.971580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.971580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.971580 (E_RNA)
where:
Base-Base interactions energy: -36.298
where: short stacking energy: -27.614
Base-Backbone interact. energy: 1.194
local terms energy: -46.867342
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -2.238
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: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -222.926349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.926349 (E_RNA)
where:
Base-Base interactions energy: -132.592
where: short stacking energy: -78.185
Base-Backbone interact. energy: -2.456
local terms energy: -87.878312
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -218.922063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.922063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.922063 (E_RNA)
where:
Base-Base interactions energy: -135.584
where: short stacking energy: -84.426
Base-Backbone interact. energy: -0.007
local terms energy: -83.330921
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -25.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -193.197242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.197242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.197242 (E_RNA)
where:
Base-Base interactions energy: -115.755
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.000
local terms energy: -77.442052
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -163.189145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.189145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.189145 (E_RNA)
where:
Base-Base interactions energy: -102.868
where: short stacking energy: -60.342
Base-Backbone interact. energy: -0.344
local terms energy: -59.977568
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -167.023823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.023823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.023823 (E_RNA)
where:
Base-Base interactions energy: -96.473
where: short stacking energy: -46.585
Base-Backbone interact. energy: -0.019
local terms energy: -70.532013
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -11.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -115.916851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.916851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.916851 (E_RNA)
where:
Base-Base interactions energy: -48.076
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.055
local terms energy: -67.786797
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -131.869848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.869848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.869848 (E_RNA)
where:
Base-Base interactions energy: -75.275
where: short stacking energy: -42.978
Base-Backbone interact. energy: -0.363
local terms energy: -56.232197
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -85.807849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.807849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.807849 (E_RNA)
where:
Base-Base interactions energy: -25.106
where: short stacking energy: -25.106
Base-Backbone interact. energy: -0.453
local terms energy: -60.248471
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -78.289361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289361 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -18.933
Base-Backbone interact. energy: -0.299
local terms energy: -50.322682
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -1.214
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: 271
Temperature: 1.350000
Total energy: -81.304487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.304487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.304487 (E_RNA)
where:
Base-Base interactions energy: -44.992
where: short stacking energy: -34.575
Base-Backbone interact. energy: -0.006
local terms energy: -36.305694
where:
bonds (distance) C4'-P energy: -2.378
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -225.125962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.125962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.125962 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -78.408
Base-Backbone interact. energy: -0.001
local terms energy: -84.358016
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -215.360978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.360978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.360978 (E_RNA)
where:
Base-Base interactions energy: -136.124
where: short stacking energy: -78.768
Base-Backbone interact. energy: 0.826
local terms energy: -80.063433
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -207.213622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.213622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.213622 (E_RNA)
where:
Base-Base interactions energy: -128.666
where: short stacking energy: -75.728
Base-Backbone interact. energy: -0.183
local terms energy: -78.364108
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -18.280
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: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -176.192277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.192277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.192277 (E_RNA)
where:
Base-Base interactions energy: -108.520
where: short stacking energy: -63.056
Base-Backbone interact. energy: 0.176
local terms energy: -67.847967
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -111.892065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.892065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.892065 (E_RNA)
where:
Base-Base interactions energy: -54.529
where: short stacking energy: -54.529
Base-Backbone interact. energy: -0.030
local terms energy: -57.333252
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -8.687
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: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -144.488264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.488264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.488264 (E_RNA)
where:
Base-Base interactions energy: -83.092
where: short stacking energy: -46.222
Base-Backbone interact. energy: 0.659
local terms energy: -62.055269
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -85.962972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962972 (E_RNA)
where:
Base-Base interactions energy: -25.831
where: short stacking energy: -25.831
Base-Backbone interact. energy: -0.362
local terms energy: -59.769885
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -122.654744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.654744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.654744 (E_RNA)
where:
Base-Base interactions energy: -64.843
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.004
local terms energy: -57.807980
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -88.409380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.409380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.409380 (E_RNA)
where:
Base-Base interactions energy: -29.425
where: short stacking energy: -29.425
Base-Backbone interact. energy: -0.050
local terms energy: -58.934538
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -84.974623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.974623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.974623 (E_RNA)
where:
Base-Base interactions energy: -42.952
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.023
local terms energy: -41.999459
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -5.576
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: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -213.151630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.151630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151630 (E_RNA)
where:
Base-Base interactions energy: -136.710
where: short stacking energy: -75.776
Base-Backbone interact. energy: 0.442
local terms energy: -76.883098
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -196.383725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.383725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.383725 (E_RNA)
where:
Base-Base interactions energy: -117.403
where: short stacking energy: -66.873
Base-Backbone interact. energy: 0.198
local terms energy: -79.179399
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -207.166388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.166388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.166388 (E_RNA)
where:
Base-Base interactions energy: -128.974
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.003
local terms energy: -78.189383
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -167.171198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.171198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.171198 (E_RNA)
where:
Base-Base interactions energy: -97.441
where: short stacking energy: -54.603
Base-Backbone interact. energy: 1.827
local terms energy: -71.557379
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -124.081623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.081623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.081623 (E_RNA)
where:
Base-Base interactions energy: -54.845
where: short stacking energy: -50.244
Base-Backbone interact. energy: -0.116
local terms energy: -69.120276
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -161.552523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.552523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.552523 (E_RNA)
where:
Base-Base interactions energy: -93.521
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.458
local terms energy: -67.574042
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -96.066576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066576 (E_RNA)
where:
Base-Base interactions energy: -44.626
where: short stacking energy: -30.220
Base-Backbone interact. energy: 0.374
local terms energy: -51.814393
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -104.424466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.424466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.424466 (E_RNA)
where:
Base-Base interactions energy: -42.661
where: short stacking energy: -42.661
Base-Backbone interact. energy: -0.012
local terms energy: -61.752233
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.430
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: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -88.148876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.148876 (E_RNA)
where:
Base-Base interactions energy: -26.663
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.119
local terms energy: -61.366300
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -3.789
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: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -74.867712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.867712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.867712 (E_RNA)
where:
Base-Base interactions energy: -29.477
where: short stacking energy: -29.477
Base-Backbone interact. energy: -0.286
local terms energy: -45.104730
where:
bonds (distance) C4'-P energy: -5.461
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -216.905167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.905167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.905167 (E_RNA)
where:
Base-Base interactions energy: -130.750
where: short stacking energy: -78.434
Base-Backbone interact. energy: -0.083
local terms energy: -86.072575
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -191.188730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.188730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.188730 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.098
local terms energy: -69.150104
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -172.255609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.255609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.255609 (E_RNA)
where:
Base-Base interactions energy: -104.280
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.157
local terms energy: -67.818875
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -192.658000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.658000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.658000 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.013
local terms energy: -78.904724
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -164.810986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.810986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.810986 (E_RNA)
where:
Base-Base interactions energy: -101.051
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.349
local terms energy: -63.410354
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -97.383310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.383310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.383310 (E_RNA)
where:
Base-Base interactions energy: -40.569
where: short stacking energy: -40.569
Base-Backbone interact. energy: -0.031
local terms energy: -56.783693
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -102.864509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.864509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.864509 (E_RNA)
where:
Base-Base interactions energy: -45.002
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.070
local terms energy: -57.792322
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -81.158669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.158669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.158669 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -30.612
Base-Backbone interact. energy: -0.245
local terms energy: -50.302072
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -96.470209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.470209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.470209 (E_RNA)
where:
Base-Base interactions energy: -46.551
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.178
local terms energy: -49.741515
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -76.813207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.813207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.813207 (E_RNA)
where:
Base-Base interactions energy: -24.520
where: short stacking energy: -19.627
Base-Backbone interact. energy: 0.057
local terms energy: -52.350607
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -212.529926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.529926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.529926 (E_RNA)
where:
Base-Base interactions energy: -129.631
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.084
local terms energy: -82.815258
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -195.392718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.392718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.392718 (E_RNA)
where:
Base-Base interactions energy: -122.283
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.717
local terms energy: -72.392163
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -185.316955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.316955 (E_RNA)
where:
Base-Base interactions energy: -110.520
where: short stacking energy: -63.267
Base-Backbone interact. energy: -0.829
local terms energy: -73.967385
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -19.711
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: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -197.745738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.745738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.745738 (E_RNA)
where:
Base-Base interactions energy: -112.001
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.064
local terms energy: -85.680366
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -149.927035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.927035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.927035 (E_RNA)
where:
Base-Base interactions energy: -88.797
where: short stacking energy: -49.871
Base-Backbone interact. energy: -0.378
local terms energy: -60.752369
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -101.211559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.211559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.211559 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.195
local terms energy: -64.881542
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -14.088
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: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.884165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884165 (E_RNA)
where:
Base-Base interactions energy: -31.243
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.001
local terms energy: -62.639326
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -85.667890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.667890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.667890 (E_RNA)
where:
Base-Base interactions energy: -37.944
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.230
local terms energy: -47.494736
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -1.389
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: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -82.442344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.442344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.442344 (E_RNA)
where:
Base-Base interactions energy: -32.124
where: short stacking energy: -27.432
Base-Backbone interact. energy: -0.227
local terms energy: -50.090545
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -77.512363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.512363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.512363 (E_RNA)
where:
Base-Base interactions energy: -22.190
where: short stacking energy: -22.190
Base-Backbone interact. energy: -0.098
local terms energy: -55.224786
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -215.461589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.461589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.461589 (E_RNA)
where:
Base-Base interactions energy: -140.561
where: short stacking energy: -79.644
Base-Backbone interact. energy: -0.297
local terms energy: -74.602782
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -200.199049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.199049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.199049 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.005
local terms energy: -78.666501
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -176.894560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.894560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.894560 (E_RNA)
where:
Base-Base interactions energy: -108.606
where: short stacking energy: -61.174
Base-Backbone interact. energy: -0.765
local terms energy: -67.524395
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -190.497085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.497085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.497085 (E_RNA)
where:
Base-Base interactions energy: -120.300
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.013
local terms energy: -70.184126
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -166.839304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.839304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.839304 (E_RNA)
where:
Base-Base interactions energy: -101.032
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.094
local terms energy: -65.713322
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -113.366732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.366732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.366732 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.006
local terms energy: -61.999931
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -9.437
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: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -95.377120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.377120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.377120 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -37.022
Base-Backbone interact. energy: 0.358
local terms energy: -54.433989
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -96.469586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469586 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -36.141
Base-Backbone interact. energy: 0.803
local terms energy: -61.131993
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -78.034649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.034649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.034649 (E_RNA)
where:
Base-Base interactions energy: -27.193
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.274
local terms energy: -50.567704
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -87.269887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.269887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.269887 (E_RNA)
where:
Base-Base interactions energy: -35.392
where: short stacking energy: -23.299
Base-Backbone interact. energy: -0.139
local terms energy: -51.739001
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -226.058087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.058087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.058087 (E_RNA)
where:
Base-Base interactions energy: -140.066
where: short stacking energy: -77.926
Base-Backbone interact. energy: -1.573
local terms energy: -84.418694
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -196.800912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.800912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.800912 (E_RNA)
where:
Base-Base interactions energy: -123.541
where: short stacking energy: -66.529
Base-Backbone interact. energy: -0.007
local terms energy: -73.253496
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -176.412209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.412209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.412209 (E_RNA)
where:
Base-Base interactions energy: -106.760
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.010
local terms energy: -69.642447
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -186.902950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.902950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.902950 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.142
local terms energy: -74.082777
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -160.242760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.242760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.242760 (E_RNA)
where:
Base-Base interactions energy: -92.196
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.218
local terms energy: -67.829303
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -96.501676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.501676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.501676 (E_RNA)
where:
Base-Base interactions energy: -42.123
where: short stacking energy: -37.459
Base-Backbone interact. energy: -0.163
local terms energy: -54.215608
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -10.109
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: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -118.331098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.331098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.331098 (E_RNA)
where:
Base-Base interactions energy: -57.120
where: short stacking energy: -44.766
Base-Backbone interact. energy: -0.129
local terms energy: -61.082024
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -88.409094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.409094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.409094 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.037
local terms energy: -51.513720
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -84.102563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102563 (E_RNA)
where:
Base-Base interactions energy: -27.644
where: short stacking energy: -27.644
Base-Backbone interact. energy: -0.119
local terms energy: -56.339458
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -11.073
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: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -82.572822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572822 (E_RNA)
where:
Base-Base interactions energy: -32.044
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.022
local terms energy: -50.507368
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -220.740255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.740255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.740255 (E_RNA)
where:
Base-Base interactions energy: -135.587
where: short stacking energy: -83.328
Base-Backbone interact. energy: -0.066
local terms energy: -85.087316
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -212.159779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.159779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.159779 (E_RNA)
where:
Base-Base interactions energy: -133.408
where: short stacking energy: -82.208
Base-Backbone interact. energy: -0.001
local terms energy: -78.750153
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -215.887597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.887597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.887597 (E_RNA)
where:
Base-Base interactions energy: -138.125
where: short stacking energy: -76.412
Base-Backbone interact. energy: -0.354
local terms energy: -77.407890
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -175.078715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.078715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.078715 (E_RNA)
where:
Base-Base interactions energy: -108.760
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.381
local terms energy: -65.938358
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -162.858120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.858120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.858120 (E_RNA)
where:
Base-Base interactions energy: -96.640
where: short stacking energy: -50.016
Base-Backbone interact. energy: -0.258
local terms energy: -65.960715
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -105.579591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.579591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.579591 (E_RNA)
where:
Base-Base interactions energy: -46.113
where: short stacking energy: -46.113
Base-Backbone interact. energy: 0.328
local terms energy: -59.794142
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -105.203978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.203978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.203978 (E_RNA)
where:
Base-Base interactions energy: -52.721
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.140
local terms energy: -52.342665
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -99.376417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.376417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.376417 (E_RNA)
where:
Base-Base interactions energy: -42.441
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.028
local terms energy: -56.906539
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -98.354081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354081 (E_RNA)
where:
Base-Base interactions energy: -33.109
where: short stacking energy: -30.210
Base-Backbone interact. energy: -0.342
local terms energy: -64.903094
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -85.275661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275661 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.115
local terms energy: -48.978689
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -3.836
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: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -223.024592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.024592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.024592 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -82.421
Base-Backbone interact. energy: -0.048
local terms energy: -84.428227
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -23.624
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: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -205.422062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.422062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.422062 (E_RNA)
where:
Base-Base interactions energy: -125.811
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.011
local terms energy: -79.600637
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -22.670
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: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -195.049561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.049561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.049561 (E_RNA)
where:
Base-Base interactions energy: -118.155
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.030
local terms energy: -76.864281
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -162.822688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.822688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.822688 (E_RNA)
where:
Base-Base interactions energy: -90.966
where: short stacking energy: -56.125
Base-Backbone interact. energy: -0.020
local terms energy: -71.836750
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.213
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: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -167.986520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.986520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.986520 (E_RNA)
where:
Base-Base interactions energy: -94.444
where: short stacking energy: -60.382
Base-Backbone interact. energy: -0.086
local terms energy: -73.456299
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -97.023481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.023481 (E_RNA)
where:
Base-Base interactions energy: -43.125
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.024
local terms energy: -53.874307
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -10.057
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: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -113.488030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.488030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.488030 (E_RNA)
where:
Base-Base interactions energy: -53.481
where: short stacking energy: -32.578
Base-Backbone interact. energy: -0.201
local terms energy: -59.805893
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -112.305507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.305507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.305507 (E_RNA)
where:
Base-Base interactions energy: -51.604
where: short stacking energy: -29.540
Base-Backbone interact. energy: -0.120
local terms energy: -60.581809
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -90.173013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.173013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.173013 (E_RNA)
where:
Base-Base interactions energy: -31.422
where: short stacking energy: -31.422
Base-Backbone interact. energy: -0.132
local terms energy: -58.619140
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -7.649
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: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -72.983769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.983769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.983769 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -24.052
Base-Backbone interact. energy: -0.399
local terms energy: -48.532001
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: 0.320
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: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -213.007526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.007526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007526 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -78.770
Base-Backbone interact. energy: -0.000
local terms energy: -78.853997
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -214.547589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.547589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.547589 (E_RNA)
where:
Base-Base interactions energy: -132.926
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.011
local terms energy: -81.610265
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -198.405052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.405052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.405052 (E_RNA)
where:
Base-Base interactions energy: -119.666
where: short stacking energy: -66.975
Base-Backbone interact. energy: -0.035
local terms energy: -78.704005
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -148.249703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.249703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.249703 (E_RNA)
where:
Base-Base interactions energy: -85.175
where: short stacking energy: -49.363
Base-Backbone interact. energy: -2.223
local terms energy: -60.851306
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -11.688
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: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -156.643540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.643540 (E_RNA)
where:
Base-Base interactions energy: -98.445
where: short stacking energy: -49.886
Base-Backbone interact. energy: -0.060
local terms energy: -58.139086
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -7.650
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: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -120.063594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.063594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.063594 (E_RNA)
where:
Base-Base interactions energy: -48.845
where: short stacking energy: -48.845
Base-Backbone interact. energy: -0.116
local terms energy: -71.102538
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -138.500061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.500061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.500061 (E_RNA)
where:
Base-Base interactions energy: -81.234
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.128
local terms energy: -57.137263
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -96.930210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.930210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.930210 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.214
local terms energy: -55.655410
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -4.589
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: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -87.355490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.355490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.355490 (E_RNA)
where:
Base-Base interactions energy: -33.622
where: short stacking energy: -33.622
Base-Backbone interact. energy: -0.142
local terms energy: -53.590946
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -72.771770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.771770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.771770 (E_RNA)
where:
Base-Base interactions energy: -19.154
where: short stacking energy: -19.154
Base-Backbone interact. energy: -0.230
local terms energy: -53.387887
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -199.847331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.847331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.847331 (E_RNA)
where:
Base-Base interactions energy: -126.296
where: short stacking energy: -71.786
Base-Backbone interact. energy: -0.085
local terms energy: -73.466827
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -192.659566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.659566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.659566 (E_RNA)
where:
Base-Base interactions energy: -120.393
where: short stacking energy: -69.988
Base-Backbone interact. energy: -0.312
local terms energy: -71.954785
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -202.883938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.883938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.883938 (E_RNA)
where:
Base-Base interactions energy: -123.147
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.006
local terms energy: -79.730810
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -168.636254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.636254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.636254 (E_RNA)
where:
Base-Base interactions energy: -99.491
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.177
local terms energy: -68.968220
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -147.388521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.388521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.388521 (E_RNA)
where:
Base-Base interactions energy: -77.744
where: short stacking energy: -45.638
Base-Backbone interact. energy: -0.369
local terms energy: -69.275504
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -157.017239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.017239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.017239 (E_RNA)
where:
Base-Base interactions energy: -95.867
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.251
local terms energy: -60.900146
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -12.744
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -101.634434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.634434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.634434 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -35.676
Base-Backbone interact. energy: 0.103
local terms energy: -65.479544
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -11.815
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: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -96.066532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066532 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.040
local terms energy: -58.111231
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -11.529
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: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -81.498612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.498612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.498612 (E_RNA)
where:
Base-Base interactions energy: -28.888
where: short stacking energy: -28.888
Base-Backbone interact. energy: 0.123
local terms energy: -52.733609
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.102
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: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -82.144766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.144766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.144766 (E_RNA)
where:
Base-Base interactions energy: -22.284
where: short stacking energy: -22.284
Base-Backbone interact. energy: -0.173
local terms energy: -59.686968
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -199.225172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225172 (E_RNA)
where:
Base-Base interactions energy: -115.808
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.100
local terms energy: -83.317637
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -206.069485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069485 (E_RNA)
where:
Base-Base interactions energy: -126.471
where: short stacking energy: -73.153
Base-Backbone interact. energy: 1.357
local terms energy: -80.955066
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -205.710959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.710959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.710959 (E_RNA)
where:
Base-Base interactions energy: -130.305
where: short stacking energy: -77.992
Base-Backbone interact. energy: -0.027
local terms energy: -75.378480
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -165.744504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.744504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.744504 (E_RNA)
where:
Base-Base interactions energy: -94.720
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.135
local terms energy: -70.889001
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -169.714628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.714628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.714628 (E_RNA)
where:
Base-Base interactions energy: -99.787
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.061
local terms energy: -69.866393
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -166.769327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.769327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.769327 (E_RNA)
where:
Base-Base interactions energy: -99.016
where: short stacking energy: -59.251
Base-Backbone interact. energy: -0.088
local terms energy: -67.664955
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -101.202220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.202220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.202220 (E_RNA)
where:
Base-Base interactions energy: -44.719
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.138
local terms energy: -56.345581
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -89.745686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.745686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.745686 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.177
local terms energy: -55.677244
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -95.116921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.116921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.116921 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -30.196
Base-Backbone interact. energy: -1.714
local terms energy: -49.175149
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -9.801
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: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -78.592366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.592366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.592366 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.297
local terms energy: -44.547695
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -8.099
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: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -212.616931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.616931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.616931 (E_RNA)
where:
Base-Base interactions energy: -125.895
where: short stacking energy: -73.816
Base-Backbone interact. energy: -0.002
local terms energy: -86.719205
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -210.437188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.437188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.437188 (E_RNA)
where:
Base-Base interactions energy: -125.428
where: short stacking energy: -76.497
Base-Backbone interact. energy: -0.038
local terms energy: -84.971353
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -22.361
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: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -189.717840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.717840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.717840 (E_RNA)
where:
Base-Base interactions energy: -114.912
where: short stacking energy: -63.729
Base-Backbone interact. energy: 0.446
local terms energy: -75.251602
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -169.873619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.873619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.873619 (E_RNA)
where:
Base-Base interactions energy: -101.045
where: short stacking energy: -61.744
Base-Backbone interact. energy: 0.441
local terms energy: -69.269902
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -168.880740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.880740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.880740 (E_RNA)
where:
Base-Base interactions energy: -104.294
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.337
local terms energy: -64.250170
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -170.786107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.786107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.786107 (E_RNA)
where:
Base-Base interactions energy: -106.344
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.048
local terms energy: -64.393867
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -12.295
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: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -94.606517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.606517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.606517 (E_RNA)
where:
Base-Base interactions energy: -37.767
where: short stacking energy: -29.549
Base-Backbone interact. energy: -0.100
local terms energy: -56.739600
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -92.531936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.531936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.531936 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -29.767
Base-Backbone interact. energy: -0.179
local terms energy: -56.647457
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -93.797650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.797650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.797650 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.226
local terms energy: -50.992946
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -10.768
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: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -73.521328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.521328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.521328 (E_RNA)
where:
Base-Base interactions energy: -26.123
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.234
local terms energy: -47.164013
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -6.667
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -2.132
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: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -218.503216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.503216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.503216 (E_RNA)
where:
Base-Base interactions energy: -141.172
where: short stacking energy: -81.429
Base-Backbone interact. energy: -0.028
local terms energy: -77.303287
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -203.769847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.769847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.769847 (E_RNA)
where:
Base-Base interactions energy: -128.621
where: short stacking energy: -79.657
Base-Backbone interact. energy: -0.015
local terms energy: -75.133840
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -22.949
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -173.905549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.905549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.905549 (E_RNA)
where:
Base-Base interactions energy: -104.798
where: short stacking energy: -57.592
Base-Backbone interact. energy: -0.083
local terms energy: -69.024754
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -14.799
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: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -195.250283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.250283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.250283 (E_RNA)
where:
Base-Base interactions energy: -120.798
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.016
local terms energy: -74.436284
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -177.946818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.946818 (E_RNA)
where:
Base-Base interactions energy: -103.010
where: short stacking energy: -61.976
Base-Backbone interact. energy: 0.376
local terms energy: -75.312313
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -164.558022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.558022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.558022 (E_RNA)
where:
Base-Base interactions energy: -98.943
where: short stacking energy: -53.449
Base-Backbone interact. energy: -0.096
local terms energy: -65.519708
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -90.858838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.858838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.858838 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -28.785
Base-Backbone interact. energy: -0.200
local terms energy: -59.773236
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.854
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: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -87.094212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094212 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.077
local terms energy: -52.416849
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -10.176
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: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -79.152043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.152043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.152043 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.024
local terms energy: -49.131064
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -71.354121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.354121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.354121 (E_RNA)
where:
Base-Base interactions energy: -34.706
where: short stacking energy: -30.982
Base-Backbone interact. energy: -0.295
local terms energy: -36.352607
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -214.438231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438231 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -74.277
Base-Backbone interact. energy: 0.032
local terms energy: -82.477962
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -205.920589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.920589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.920589 (E_RNA)
where:
Base-Base interactions energy: -123.394
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.186
local terms energy: -82.341026
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -170.301431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.301431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.301431 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.022
local terms energy: -66.645741
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -175.269352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.269352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.269352 (E_RNA)
where:
Base-Base interactions energy: -94.694
where: short stacking energy: -48.163
Base-Backbone interact. energy: 0.284
local terms energy: -80.859269
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -17.614
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: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -187.760810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.760810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.760810 (E_RNA)
where:
Base-Base interactions energy: -115.077
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.009
local terms energy: -72.674693
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -144.367329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.367329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.367329 (E_RNA)
where:
Base-Base interactions energy: -84.772
where: short stacking energy: -39.393
Base-Backbone interact. energy: -1.125
local terms energy: -58.469748
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -103.285949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.285949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.285949 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -41.903
Base-Backbone interact. energy: -0.140
local terms energy: -60.947465
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -92.515973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.515973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.515973 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.060
local terms energy: -59.038467
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.261
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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -82.339615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.339615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.339615 (E_RNA)
where:
Base-Base interactions energy: -30.950
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.459
local terms energy: -50.930990
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -80.955038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955038 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.114
local terms energy: -46.610361
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -9.382
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -208.507216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.507216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.507216 (E_RNA)
where:
Base-Base interactions energy: -132.064
where: short stacking energy: -76.096
Base-Backbone interact. energy: -0.001
local terms energy: -76.442106
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -194.185669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.185669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.185669 (E_RNA)
where:
Base-Base interactions energy: -113.785
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.175
local terms energy: -80.225603
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -176.003403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.003403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.003403 (E_RNA)
where:
Base-Base interactions energy: -107.195
where: short stacking energy: -62.964
Base-Backbone interact. energy: -0.057
local terms energy: -68.751591
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -173.789609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.789609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.789609 (E_RNA)
where:
Base-Base interactions energy: -104.285
where: short stacking energy: -58.975
Base-Backbone interact. energy: -1.416
local terms energy: -68.089023
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -166.071094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.071094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.071094 (E_RNA)
where:
Base-Base interactions energy: -101.418
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.006
local terms energy: -64.647188
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -181.352529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.352529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.352529 (E_RNA)
where:
Base-Base interactions energy: -106.927
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.039
local terms energy: -74.386184
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -94.292969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.292969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.292969 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.187
local terms energy: -58.486377
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -7.094
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: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -87.954248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954248 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -27.697
Base-Backbone interact. energy: -0.065
local terms energy: -59.725276
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -86.739605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739605 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -24.036
Base-Backbone interact. energy: -0.463
local terms energy: -45.894608
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -4.251
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: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -95.051788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.051788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.051788 (E_RNA)
where:
Base-Base interactions energy: -36.680
where: short stacking energy: -36.680
Base-Backbone interact. energy: -0.133
local terms energy: -58.238667
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -10.725
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: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -213.329667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.329667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.329667 (E_RNA)
where:
Base-Base interactions energy: -136.637
where: short stacking energy: -80.779
Base-Backbone interact. energy: -1.189
local terms energy: -75.503505
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -200.622603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.622603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.622603 (E_RNA)
where:
Base-Base interactions energy: -132.736
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.082
local terms energy: -67.804651
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -179.056368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.056368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056368 (E_RNA)
where:
Base-Base interactions energy: -102.213
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.172
local terms energy: -76.671423
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -178.132880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.132880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.132880 (E_RNA)
where:
Base-Base interactions energy: -103.712
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.104
local terms energy: -74.316304
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -12.119
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: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -165.534410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.534410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.534410 (E_RNA)
where:
Base-Base interactions energy: -103.940
where: short stacking energy: -53.501
Base-Backbone interact. energy: -0.055
local terms energy: -61.539363
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -114.755991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.755991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.755991 (E_RNA)
where:
Base-Base interactions energy: -48.480
where: short stacking energy: -48.480
Base-Backbone interact. energy: -0.003
local terms energy: -66.273489
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -158.745953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.745953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.745953 (E_RNA)
where:
Base-Base interactions energy: -111.390
where: short stacking energy: -55.780
Base-Backbone interact. energy: 0.519
local terms energy: -47.874445
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: 2.182
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -79.700526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.700526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.700526 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -33.780
Base-Backbone interact. energy: 1.483
local terms energy: -47.403856
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -7.712
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: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -83.805356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.805356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.805356 (E_RNA)
where:
Base-Base interactions energy: -31.554
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.392
local terms energy: -51.860011
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -71.781754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.781754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.781754 (E_RNA)
where:
Base-Base interactions energy: -22.564
where: short stacking energy: -16.368
Base-Backbone interact. energy: -0.107
local terms energy: -49.111619
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -7.724
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: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -218.269787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.269787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.269787 (E_RNA)
where:
Base-Base interactions energy: -138.315
where: short stacking energy: -70.059
Base-Backbone interact. energy: -0.189
local terms energy: -79.765810
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -204.144530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.144530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.144530 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -64.163
Base-Backbone interact. energy: -0.097
local terms energy: -73.639785
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -189.549546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.549546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.549546 (E_RNA)
where:
Base-Base interactions energy: -109.601
where: short stacking energy: -69.230
Base-Backbone interact. energy: -0.003
local terms energy: -79.946417
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -172.665723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.665723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.665723 (E_RNA)
where:
Base-Base interactions energy: -101.386
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.226
local terms energy: -71.053220
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -170.091234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.091234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.091234 (E_RNA)
where:
Base-Base interactions energy: -112.881
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.215
local terms energy: -56.995256
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -110.437634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.437634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.437634 (E_RNA)
where:
Base-Base interactions energy: -48.728
where: short stacking energy: -48.728
Base-Backbone interact. energy: -0.081
local terms energy: -61.627965
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -108.686006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.686006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.686006 (E_RNA)
where:
Base-Base interactions energy: -53.944
where: short stacking energy: -48.089
Base-Backbone interact. energy: -0.421
local terms energy: -54.321055
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -5.512
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -135.311199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.311199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.311199 (E_RNA)
where:
Base-Base interactions energy: -73.617
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.100
local terms energy: -61.594064
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -113.381165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.381165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.381165 (E_RNA)
where:
Base-Base interactions energy: -62.226
where: short stacking energy: -36.822
Base-Backbone interact. energy: -0.157
local terms energy: -50.997915
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -119.498668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.498668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.498668 (E_RNA)
where:
Base-Base interactions energy: -59.608
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.231
local terms energy: -59.659693
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -212.224550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.224550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.224550 (E_RNA)
where:
Base-Base interactions energy: -130.705
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.102
local terms energy: -81.418269
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -20.092
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -205.309432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.309432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.309432 (E_RNA)
where:
Base-Base interactions energy: -123.907
where: short stacking energy: -70.050
Base-Backbone interact. energy: -0.018
local terms energy: -81.384547
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -177.262894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.262894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.262894 (E_RNA)
where:
Base-Base interactions energy: -100.090
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.393
local terms energy: -76.779086
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -169.509661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.509661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.509661 (E_RNA)
where:
Base-Base interactions energy: -100.632
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.256
local terms energy: -68.621346
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -172.365988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.365988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.365988 (E_RNA)
where:
Base-Base interactions energy: -106.889
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.154
local terms energy: -65.323750
where:
bonds (distance) C4'-P energy: -7.379
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -99.895409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.895409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.895409 (E_RNA)
where:
Base-Base interactions energy: -45.291
where: short stacking energy: -44.769
Base-Backbone interact. energy: 1.427
local terms energy: -56.031465
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -95.397840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397840 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -32.167
Base-Backbone interact. energy: -0.315
local terms energy: -62.915490
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.445440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.445440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.445440 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -37.681
Base-Backbone interact. energy: -0.218
local terms energy: -54.545704
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -92.133390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.133390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.133390 (E_RNA)
where:
Base-Base interactions energy: -50.698
where: short stacking energy: -37.447
Base-Backbone interact. energy: -0.110
local terms energy: -41.325409
where:
bonds (distance) C4'-P energy: -5.797
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -8.274
flat angles P-C4'-P energy: -4.700
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: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -105.910942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.910942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.910942 (E_RNA)
where:
Base-Base interactions energy: -62.053
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.639
local terms energy: -43.218901
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -220.722134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.722134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.722134 (E_RNA)
where:
Base-Base interactions energy: -139.877
where: short stacking energy: -71.263
Base-Backbone interact. energy: -0.549
local terms energy: -80.295398
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -201.066709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066709 (E_RNA)
where:
Base-Base interactions energy: -124.413
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.041
local terms energy: -76.612877
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -187.615203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.615203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.615203 (E_RNA)
where:
Base-Base interactions energy: -112.868
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.036
local terms energy: -74.710970
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -184.631973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.631973 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -55.640
Base-Backbone interact. energy: -0.410
local terms energy: -64.953169
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -12.771
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: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -182.455416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.455416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.455416 (E_RNA)
where:
Base-Base interactions energy: -108.627
where: short stacking energy: -65.616
Base-Backbone interact. energy: -0.004
local terms energy: -73.824697
where:
bonds (distance) C4'-P energy: -9.216
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -114.263141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.263141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.263141 (E_RNA)
where:
Base-Base interactions energy: -50.931
where: short stacking energy: -36.187
Base-Backbone interact. energy: -0.353
local terms energy: -62.979604
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -111.385065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.385065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.385065 (E_RNA)
where:
Base-Base interactions energy: -52.507
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.184
local terms energy: -58.694002
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -83.845792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.845792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.845792 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -23.051
Base-Backbone interact. energy: -0.380
local terms energy: -44.752931
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -85.277513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.277513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.277513 (E_RNA)
where:
Base-Base interactions energy: -32.821
where: short stacking energy: -19.687
Base-Backbone interact. energy: -0.113
local terms energy: -52.342946
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -8.084
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: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -76.119165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.119165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.119165 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.605
local terms energy: -41.459402
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -8.473
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -223.781482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.781482 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -80.718
Base-Backbone interact. energy: -0.002
local terms energy: -85.483679
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -197.851561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.851561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.851561 (E_RNA)
where:
Base-Base interactions energy: -123.725
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.001
local terms energy: -74.125320
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -194.956036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.956036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.956036 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.278
local terms energy: -78.629745
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -177.362641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.362641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.362641 (E_RNA)
where:
Base-Base interactions energy: -104.850
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.152
local terms energy: -72.359831
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -165.307923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.307923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.307923 (E_RNA)
where:
Base-Base interactions energy: -98.165
where: short stacking energy: -46.010
Base-Backbone interact. energy: 0.378
local terms energy: -67.521161
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -11.826
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: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -111.474015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.474015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.474015 (E_RNA)
where:
Base-Base interactions energy: -55.220
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.122
local terms energy: -56.132510
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -6.926
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: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -122.126909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.126909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.126909 (E_RNA)
where:
Base-Base interactions energy: -64.035
where: short stacking energy: -38.019
Base-Backbone interact. energy: -1.888
local terms energy: -56.203293
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -91.592363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592363 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -32.571
Base-Backbone interact. energy: 1.040
local terms energy: -55.166046
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -4.537
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: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -102.787123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.787123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.787123 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.131
local terms energy: -65.939449
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -15.215
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: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -81.423023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423023 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -31.217
Base-Backbone interact. energy: -0.176
local terms energy: -49.012756
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -10.177
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -217.208536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.208536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.208536 (E_RNA)
where:
Base-Base interactions energy: -132.161
where: short stacking energy: -72.750
Base-Backbone interact. energy: -0.009
local terms energy: -85.038363
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -210.144554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.144554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.144554 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.006
local terms energy: -81.064974
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -175.641699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.641699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.641699 (E_RNA)
where:
Base-Base interactions energy: -102.112
where: short stacking energy: -63.474
Base-Backbone interact. energy: -0.037
local terms energy: -73.492103
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -176.573887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.573887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.573887 (E_RNA)
where:
Base-Base interactions energy: -104.003
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.157
local terms energy: -72.414153
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -10.771
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: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -172.540245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.540245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.540245 (E_RNA)
where:
Base-Base interactions energy: -105.089
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.068
local terms energy: -67.383127
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -109.652455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.652455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.652455 (E_RNA)
where:
Base-Base interactions energy: -61.585
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.133
local terms energy: -47.934583
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -5.394
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: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -97.574611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.574611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.574611 (E_RNA)
where:
Base-Base interactions energy: -44.588
where: short stacking energy: -39.009
Base-Backbone interact. energy: -0.151
local terms energy: -52.835047
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -4.534
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: 292
Temperature: 1.250000
Total energy: -98.754840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.754840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.754840 (E_RNA)
where:
Base-Base interactions energy: -33.922
where: short stacking energy: -33.922
Base-Backbone interact. energy: -0.137
local terms energy: -64.696382
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -8.974
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: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -92.429590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429590 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -25.274
Base-Backbone interact. energy: -0.113
local terms energy: -55.494756
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -11.280
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: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -92.049009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.049009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.049009 (E_RNA)
where:
Base-Base interactions energy: -29.040
where: short stacking energy: -20.721
Base-Backbone interact. energy: -0.134
local terms energy: -62.875006
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -214.013422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.013422 (E_RNA)
where:
Base-Base interactions energy: -131.122
where: short stacking energy: -76.201
Base-Backbone interact. energy: -0.044
local terms energy: -82.848285
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -215.425087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.425087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.425087 (E_RNA)
where:
Base-Base interactions energy: -138.024
where: short stacking energy: -82.677
Base-Backbone interact. energy: -0.017
local terms energy: -77.383413
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -23.454
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: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -172.905548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.905548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.905548 (E_RNA)
where:
Base-Base interactions energy: -101.828
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.069
local terms energy: -71.008499
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.892
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: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -181.321013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.321013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.321013 (E_RNA)
where:
Base-Base interactions energy: -105.716
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.274
local terms energy: -75.331056
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -20.706
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: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -184.647783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.647783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.647783 (E_RNA)
where:
Base-Base interactions energy: -113.585
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.009
local terms energy: -71.054288
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -18.205
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: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -118.110854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.110854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.110854 (E_RNA)
where:
Base-Base interactions energy: -53.103
where: short stacking energy: -50.243
Base-Backbone interact. energy: 1.209
local terms energy: -66.216705
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -122.557677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.557677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.557677 (E_RNA)
where:
Base-Base interactions energy: -73.252
where: short stacking energy: -36.758
Base-Backbone interact. energy: -0.085
local terms energy: -49.220563
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -95.052514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.052514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.052514 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.100
local terms energy: -48.102253
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -85.217239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.217239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.217239 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -25.727
Base-Backbone interact. energy: -0.217
local terms energy: -47.626418
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -78.881262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.881262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.881262 (E_RNA)
where:
Base-Base interactions energy: -29.404
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.152
local terms energy: -49.325374
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.403
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: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -214.315624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315624 (E_RNA)
where:
Base-Base interactions energy: -139.591
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.007
local terms energy: -74.718224
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -21.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -218.422222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.422222 (E_RNA)
where:
Base-Base interactions energy: -141.058
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.061
local terms energy: -77.302452
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -20.990
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: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -183.621848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.621848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.621848 (E_RNA)
where:
Base-Base interactions energy: -105.902
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.100
local terms energy: -77.620030
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -168.575524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.575524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.575524 (E_RNA)
where:
Base-Base interactions energy: -102.580
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.004
local terms energy: -65.991850
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -170.975295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.975295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.975295 (E_RNA)
where:
Base-Base interactions energy: -108.610
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.268
local terms energy: -62.096799
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -7.813
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: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -130.016273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.016273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.016273 (E_RNA)
where:
Base-Base interactions energy: -80.595
where: short stacking energy: -37.027
Base-Backbone interact. energy: -0.255
local terms energy: -49.165914
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -95.499038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.499038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.499038 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -42.830
Base-Backbone interact. energy: 0.965
local terms energy: -51.112006
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -93.532865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.532865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.532865 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -39.496
Base-Backbone interact. energy: 0.598
local terms energy: -52.775498
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -7.170
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -8.877
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: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -78.415876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.415876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.415876 (E_RNA)
where:
Base-Base interactions energy: -31.495
where: short stacking energy: -12.965
Base-Backbone interact. energy: -0.304
local terms energy: -46.617480
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -105.386408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.386408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.386408 (E_RNA)
where:
Base-Base interactions energy: -48.882
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.311
local terms energy: -56.192779
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -219.237967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.237967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.237967 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -77.115
Base-Backbone interact. energy: -0.008
local terms energy: -86.467650
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -185.702008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.702008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.702008 (E_RNA)
where:
Base-Base interactions energy: -112.182
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.011
local terms energy: -73.509419
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -16.127
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: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -201.672201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.672201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.672201 (E_RNA)
where:
Base-Base interactions energy: -120.632
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.290
local terms energy: -80.750684
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -157.863710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.863710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.863710 (E_RNA)
where:
Base-Base interactions energy: -94.882
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.027
local terms energy: -62.954577
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -12.107
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: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -154.820919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.820919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.820919 (E_RNA)
where:
Base-Base interactions energy: -94.132
where: short stacking energy: -49.025
Base-Backbone interact. energy: 0.206
local terms energy: -60.895225
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -8.530
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -112.928239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.928239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.928239 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -43.648
Base-Backbone interact. energy: -0.117
local terms energy: -65.585816
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -7.937
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: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -128.559751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.559751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.559751 (E_RNA)
where:
Base-Base interactions energy: -70.996
where: short stacking energy: -42.647
Base-Backbone interact. energy: 0.416
local terms energy: -57.979569
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -11.407
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: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -145.541151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.541151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.541151 (E_RNA)
where:
Base-Base interactions energy: -75.440
where: short stacking energy: -42.520
Base-Backbone interact. energy: -0.122
local terms energy: -69.980010
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -9.749
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: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -94.141346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141346 (E_RNA)
where:
Base-Base interactions energy: -45.859
where: short stacking energy: -45.496
Base-Backbone interact. energy: -0.005
local terms energy: -48.277998
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -87.906997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.906997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.906997 (E_RNA)
where:
Base-Base interactions energy: -37.600
where: short stacking energy: -25.290
Base-Backbone interact. energy: -0.100
local terms energy: -50.207353
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -222.482131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.482131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.482131 (E_RNA)
where:
Base-Base interactions energy: -135.727
where: short stacking energy: -82.905
Base-Backbone interact. energy: -0.003
local terms energy: -86.751872
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -199.080390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.080390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.080390 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -79.215
Base-Backbone interact. energy: -0.007
local terms energy: -76.625169
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -215.855872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.855872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.855872 (E_RNA)
where:
Base-Base interactions energy: -133.859
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.003
local terms energy: -81.994120
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -22.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -158.037478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.037478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.037478 (E_RNA)
where:
Base-Base interactions energy: -86.961
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.031
local terms energy: -71.045638
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -13.216
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: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -141.380358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.380358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.380358 (E_RNA)
where:
Base-Base interactions energy: -79.084
where: short stacking energy: -50.667
Base-Backbone interact. energy: -0.149
local terms energy: -62.147547
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -10.849
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: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -106.435571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.435571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.435571 (E_RNA)
where:
Base-Base interactions energy: -46.276
where: short stacking energy: -46.276
Base-Backbone interact. energy: 2.212
local terms energy: -62.371853
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -139.710308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.710308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.710308 (E_RNA)
where:
Base-Base interactions energy: -72.462
where: short stacking energy: -37.748
Base-Backbone interact. energy: -0.241
local terms energy: -67.007391
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -9.301
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -90.418408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.418408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.418408 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -17.525
Base-Backbone interact. energy: -0.145
local terms energy: -57.831618
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -90.311388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.311388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.311388 (E_RNA)
where:
Base-Base interactions energy: -37.977
where: short stacking energy: -37.977
Base-Backbone interact. energy: -0.145
local terms energy: -52.190192
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -10.464
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: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -76.369545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.369545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.369545 (E_RNA)
where:
Base-Base interactions energy: -21.470
where: short stacking energy: -21.470
Base-Backbone interact. energy: -0.257
local terms energy: -54.642954
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -223.154272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.154272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.154272 (E_RNA)
where:
Base-Base interactions energy: -139.245
where: short stacking energy: -78.714
Base-Backbone interact. energy: 0.410
local terms energy: -84.319335
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -20.828
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: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -231.541099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.541099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.541099 (E_RNA)
where:
Base-Base interactions energy: -142.656
where: short stacking energy: -81.367
Base-Backbone interact. energy: -1.779
local terms energy: -87.106447
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -24.518
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: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -186.571530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.571530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.571530 (E_RNA)
where:
Base-Base interactions energy: -114.611
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.121
local terms energy: -71.839280
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -151.551927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.551927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.551927 (E_RNA)
where:
Base-Base interactions energy: -81.945
where: short stacking energy: -47.787
Base-Backbone interact. energy: -0.639
local terms energy: -68.967448
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -159.890263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.890263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.890263 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -51.936
Base-Backbone interact. energy: -0.015
local terms energy: -70.072788
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -151.504948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.504948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.504948 (E_RNA)
where:
Base-Base interactions energy: -84.708
where: short stacking energy: -44.577
Base-Backbone interact. energy: -0.301
local terms energy: -66.496023
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -13.878
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: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -91.891470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.891470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.891470 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -28.458
Base-Backbone interact. energy: -0.200
local terms energy: -48.506305
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -2.274
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: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -94.675294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.675294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.675294 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.073
local terms energy: -55.280966
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -76.708551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.708551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.708551 (E_RNA)
where:
Base-Base interactions energy: -27.696
where: short stacking energy: -27.696
Base-Backbone interact. energy: -0.181
local terms energy: -48.831326
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -85.324270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.324270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.324270 (E_RNA)
where:
Base-Base interactions energy: -38.670
where: short stacking energy: -19.920
Base-Backbone interact. energy: 2.037
local terms energy: -48.690961
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -220.583608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.583608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.583608 (E_RNA)
where:
Base-Base interactions energy: -138.582
where: short stacking energy: -76.557
Base-Backbone interact. energy: -0.031
local terms energy: -81.970201
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -21.212
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -220.775401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.775401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.775401 (E_RNA)
where:
Base-Base interactions energy: -133.513
where: short stacking energy: -79.105
Base-Backbone interact. energy: 0.316
local terms energy: -87.578349
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -25.261
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: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -188.544376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.544376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.544376 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.017
local terms energy: -72.796252
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -182.148008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.148008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.148008 (E_RNA)
where:
Base-Base interactions energy: -108.648
where: short stacking energy: -55.248
Base-Backbone interact. energy: -0.395
local terms energy: -73.104482
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -168.706295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706295 (E_RNA)
where:
Base-Base interactions energy: -99.198
where: short stacking energy: -53.458
Base-Backbone interact. energy: -0.668
local terms energy: -68.840334
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -125.472028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.472028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.472028 (E_RNA)
where:
Base-Base interactions energy: -68.086
where: short stacking energy: -37.881
Base-Backbone interact. energy: -0.071
local terms energy: -57.314638
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -10.583
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: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -119.598536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.598536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.598536 (E_RNA)
where:
Base-Base interactions energy: -59.523
where: short stacking energy: -49.170
Base-Backbone interact. energy: 0.901
local terms energy: -60.976587
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -90.861591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.861591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.861591 (E_RNA)
where:
Base-Base interactions energy: -33.943
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.059
local terms energy: -56.860460
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.493
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: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -83.395138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.395138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.395138 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -34.225
Base-Backbone interact. energy: -0.140
local terms energy: -41.761129
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: 3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -76.066537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.066537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.066537 (E_RNA)
where:
Base-Base interactions energy: -25.018
where: short stacking energy: -24.542
Base-Backbone interact. energy: 1.836
local terms energy: -52.884922
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -219.232331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.232331 (E_RNA)
where:
Base-Base interactions energy: -132.958
where: short stacking energy: -78.977
Base-Backbone interact. energy: -1.629
local terms energy: -84.645729
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -215.437778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.437778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.437778 (E_RNA)
where:
Base-Base interactions energy: -132.366
where: short stacking energy: -78.517
Base-Backbone interact. energy: -0.004
local terms energy: -83.067662
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -188.251941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.251941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.251941 (E_RNA)
where:
Base-Base interactions energy: -110.628
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.012
local terms energy: -77.612340
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -175.044194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.044194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.044194 (E_RNA)
where:
Base-Base interactions energy: -102.716
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.018
local terms energy: -72.310025
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -10.693
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -154.053103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.053103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.053103 (E_RNA)
where:
Base-Base interactions energy: -88.053
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.871
local terms energy: -65.129827
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -9.743
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: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -107.195697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.195697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.195697 (E_RNA)
where:
Base-Base interactions energy: -51.052
where: short stacking energy: -44.194
Base-Backbone interact. energy: 0.700
local terms energy: -56.843950
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.733
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: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -96.861559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.861559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.861559 (E_RNA)
where:
Base-Base interactions energy: -49.969
where: short stacking energy: -34.153
Base-Backbone interact. energy: 0.066
local terms energy: -46.957795
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -92.730182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.730182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.730182 (E_RNA)
where:
Base-Base interactions energy: -38.154
where: short stacking energy: -38.154
Base-Backbone interact. energy: -0.186
local terms energy: -54.389377
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -86.677494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.677494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.677494 (E_RNA)
where:
Base-Base interactions energy: -42.041
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.220
local terms energy: -44.415980
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -6.910
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: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -86.435844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.435844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.435844 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -37.896
Base-Backbone interact. energy: -0.022
local terms energy: -48.517244
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -2.946
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: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -220.733527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.733527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.733527 (E_RNA)
where:
Base-Base interactions energy: -136.397
where: short stacking energy: -81.860
Base-Backbone interact. energy: -1.062
local terms energy: -83.274423
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -208.584360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.584360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.584360 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -77.465
Base-Backbone interact. energy: -0.041
local terms energy: -78.720445
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -173.131446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.131446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.131446 (E_RNA)
where:
Base-Base interactions energy: -99.255
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.012
local terms energy: -73.864420
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -161.589808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.589808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.589808 (E_RNA)
where:
Base-Base interactions energy: -99.727
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.113
local terms energy: -61.749750
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -7.099
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: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -155.222837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.222837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.222837 (E_RNA)
where:
Base-Base interactions energy: -99.044
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.251
local terms energy: -55.928607
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -8.512
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: 300
Temperature: 1.150000
Total energy: -114.581417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581417 (E_RNA)
where:
Base-Base interactions energy: -49.674
where: short stacking energy: -49.674
Base-Backbone interact. energy: -0.069
local terms energy: -64.838176
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.683
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: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -91.987276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987276 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.126
local terms energy: -59.924944
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -91.027889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027889 (E_RNA)
where:
Base-Base interactions energy: -37.190
where: short stacking energy: -32.498
Base-Backbone interact. energy: -0.093
local terms energy: -53.745667
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -1.676
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: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -81.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980276 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -25.392
Base-Backbone interact. energy: -0.211
local terms energy: -47.750926
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -70.091031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.091031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.091031 (E_RNA)
where:
Base-Base interactions energy: -21.609
where: short stacking energy: -21.609
Base-Backbone interact. energy: -0.115
local terms energy: -48.367330
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -4.018
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -227.496627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.496627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.496627 (E_RNA)
where:
Base-Base interactions energy: -140.666
where: short stacking energy: -82.118
Base-Backbone interact. energy: -0.284
local terms energy: -86.546484
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -25.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -199.445910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445910 (E_RNA)
where:
Base-Base interactions energy: -124.436
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.009
local terms energy: -75.001041
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -18.107
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: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -182.669074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.669074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.669074 (E_RNA)
where:
Base-Base interactions energy: -110.210
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.019
local terms energy: -72.439649
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.107
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: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -164.774785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.774785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.774785 (E_RNA)
where:
Base-Base interactions energy: -88.806
where: short stacking energy: -55.187
Base-Backbone interact. energy: -0.006
local terms energy: -75.962750
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -160.359278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.359278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.359278 (E_RNA)
where:
Base-Base interactions energy: -96.350
where: short stacking energy: -54.198
Base-Backbone interact. energy: -0.000
local terms energy: -64.009016
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -14.978
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -117.615483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.615483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.615483 (E_RNA)
where:
Base-Base interactions energy: -48.604
where: short stacking energy: -48.604
Base-Backbone interact. energy: -0.038
local terms energy: -68.973399
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -11.309
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: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -92.420742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.420742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.420742 (E_RNA)
where:
Base-Base interactions energy: -42.197
where: short stacking energy: -42.197
Base-Backbone interact. energy: -0.241
local terms energy: -49.981888
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -8.007
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -6.283
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: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -99.134903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.134903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.134903 (E_RNA)
where:
Base-Base interactions energy: -43.916
where: short stacking energy: -27.764
Base-Backbone interact. energy: -0.333
local terms energy: -54.885542
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -0.969
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: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -88.108131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.108131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.108131 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -32.996
Base-Backbone interact. energy: -0.112
local terms energy: -50.431657
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -88.213735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.213735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.213735 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -35.106
Base-Backbone interact. energy: -0.101
local terms energy: -50.694633
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -9.201
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: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -222.858448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.858448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.858448 (E_RNA)
where:
Base-Base interactions energy: -139.103
where: short stacking energy: -78.946
Base-Backbone interact. energy: -0.044
local terms energy: -83.711596
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -215.950400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.950400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950400 (E_RNA)
where:
Base-Base interactions energy: -127.958
where: short stacking energy: -73.481
Base-Backbone interact. energy: -0.003
local terms energy: -87.989757
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -179.363979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.363979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.363979 (E_RNA)
where:
Base-Base interactions energy: -103.439
where: short stacking energy: -60.480
Base-Backbone interact. energy: -0.038
local terms energy: -75.886775
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -15.660
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: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -161.396156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.396156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.396156 (E_RNA)
where:
Base-Base interactions energy: -92.550
where: short stacking energy: -57.466
Base-Backbone interact. energy: 0.527
local terms energy: -69.372679
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -15.283
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: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -152.965368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.965368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.965368 (E_RNA)
where:
Base-Base interactions energy: -89.017
where: short stacking energy: -39.697
Base-Backbone interact. energy: -0.528
local terms energy: -63.420409
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -102.283347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.283347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.283347 (E_RNA)
where:
Base-Base interactions energy: -46.465
where: short stacking energy: -46.465
Base-Backbone interact. energy: -0.319
local terms energy: -55.498768
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -84.103774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.103774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.103774 (E_RNA)
where:
Base-Base interactions energy: -29.721
where: short stacking energy: -21.768
Base-Backbone interact. energy: -0.385
local terms energy: -53.998084
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -96.040738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.040738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.040738 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.125
local terms energy: -58.198287
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -76.683767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.683767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.683767 (E_RNA)
where:
Base-Base interactions energy: -24.247
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.264
local terms energy: -52.173249
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.014
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: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -80.036494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.036494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.036494 (E_RNA)
where:
Base-Base interactions energy: -25.766
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.085
local terms energy: -54.185579
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -224.670690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.670690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.670690 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -82.867
Base-Backbone interact. energy: -0.028
local terms energy: -86.873577
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -22.557
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: 303
Temperature: 0.950000
Total energy: -203.984049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.984049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.984049 (E_RNA)
where:
Base-Base interactions energy: -129.919
where: short stacking energy: -64.984
Base-Backbone interact. energy: -0.032
local terms energy: -74.033159
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -181.172086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.172086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.172086 (E_RNA)
where:
Base-Base interactions energy: -100.932
where: short stacking energy: -63.424
Base-Backbone interact. energy: -0.019
local terms energy: -80.220424
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -169.748419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.748419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.748419 (E_RNA)
where:
Base-Base interactions energy: -100.556
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.197
local terms energy: -68.995224
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -9.060
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: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -145.310435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.310435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.310435 (E_RNA)
where:
Base-Base interactions energy: -90.692
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.394
local terms energy: -54.224496
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.452
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: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -149.613617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.613617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.613617 (E_RNA)
where:
Base-Base interactions energy: -84.036
where: short stacking energy: -43.717
Base-Backbone interact. energy: -1.127
local terms energy: -64.451254
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -11.079
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: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -89.467831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.467831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.467831 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.025
local terms energy: -62.665847
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -12.059
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: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -101.514242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.514242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.514242 (E_RNA)
where:
Base-Base interactions energy: -46.394
where: short stacking energy: -46.394
Base-Backbone interact. energy: -0.000
local terms energy: -55.119724
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -91.580848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.580848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.580848 (E_RNA)
where:
Base-Base interactions energy: -44.548
where: short stacking energy: -19.204
Base-Backbone interact. energy: -0.818
local terms energy: -46.215187
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -90.136349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136349 (E_RNA)
where:
Base-Base interactions energy: -32.964
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.121
local terms energy: -57.051326
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -213.653298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.653298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.653298 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -68.784
Base-Backbone interact. energy: -0.061
local terms energy: -79.574794
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -15.395
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: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -218.932271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.932271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.932271 (E_RNA)
where:
Base-Base interactions energy: -134.586
where: short stacking energy: -79.280
Base-Backbone interact. energy: -0.000
local terms energy: -84.345980
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -182.813733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.813733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.813733 (E_RNA)
where:
Base-Base interactions energy: -105.033
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.358
local terms energy: -77.422778
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -173.058552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.058552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.058552 (E_RNA)
where:
Base-Base interactions energy: -98.650
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.181
local terms energy: -74.227569
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -164.664007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.664007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.664007 (E_RNA)
where:
Base-Base interactions energy: -95.481
where: short stacking energy: -49.411
Base-Backbone interact. energy: -0.215
local terms energy: -68.968236
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -9.973
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: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -148.635019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.635019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.635019 (E_RNA)
where:
Base-Base interactions energy: -79.725
where: short stacking energy: -44.592
Base-Backbone interact. energy: -0.939
local terms energy: -67.970786
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.057
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -105.537341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.537341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.537341 (E_RNA)
where:
Base-Base interactions energy: -52.634
where: short stacking energy: -35.741
Base-Backbone interact. energy: -0.251
local terms energy: -52.652709
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -10.208
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: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -104.236884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.236884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.236884 (E_RNA)
where:
Base-Base interactions energy: -44.600
where: short stacking energy: -44.600
Base-Backbone interact. energy: -0.037
local terms energy: -59.599871
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -9.291
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -81.312680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.312680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.312680 (E_RNA)
where:
Base-Base interactions energy: -26.666
where: short stacking energy: -26.666
Base-Backbone interact. energy: -0.019
local terms energy: -54.627711
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -81.643477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643477 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -21.027
Base-Backbone interact. energy: -0.233
local terms energy: -54.083536
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: 1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -202.132448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.132448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.132448 (E_RNA)
where:
Base-Base interactions energy: -124.257
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.013
local terms energy: -77.863269
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -10.647
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: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -215.008594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.008594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.008594 (E_RNA)
where:
Base-Base interactions energy: -128.643
where: short stacking energy: -82.056
Base-Backbone interact. energy: -0.001
local terms energy: -86.364450
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -25.367
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: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -179.994200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.994200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.994200 (E_RNA)
where:
Base-Base interactions energy: -101.919
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.152
local terms energy: -77.923695
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -16.946
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: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -164.534498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.534498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.534498 (E_RNA)
where:
Base-Base interactions energy: -103.008
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.078
local terms energy: -61.448732
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -189.133096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.133096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.133096 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.003
local terms energy: -79.461439
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -158.124229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.124229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.124229 (E_RNA)
where:
Base-Base interactions energy: -91.883
where: short stacking energy: -47.833
Base-Backbone interact. energy: -0.302
local terms energy: -65.939005
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -94.977604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.977604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.977604 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.099
local terms energy: -60.403404
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -7.893
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: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -87.315572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.315572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.315572 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.300
local terms energy: -53.426415
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -81.880424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.880424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.880424 (E_RNA)
where:
Base-Base interactions energy: -33.834
where: short stacking energy: -25.622
Base-Backbone interact. energy: 0.086
local terms energy: -48.132038
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -80.555262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.555262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.555262 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -23.780
Base-Backbone interact. energy: -0.285
local terms energy: -47.263998
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.354
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: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -217.483444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.483444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.483444 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -80.987
Base-Backbone interact. energy: -0.099
local terms energy: -86.970902
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -24.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -192.429591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.429591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.429591 (E_RNA)
where:
Base-Base interactions energy: -119.088
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.108
local terms energy: -73.233813
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -184.554478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.554478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.554478 (E_RNA)
where:
Base-Base interactions energy: -103.607
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.050
local terms energy: -80.897755
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.725
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -193.388187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.388187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.388187 (E_RNA)
where:
Base-Base interactions energy: -113.568
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.042
local terms energy: -79.777629
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -179.638559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.638559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.638559 (E_RNA)
where:
Base-Base interactions energy: -100.408
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.102
local terms energy: -79.129011
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -149.829670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.829670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.829670 (E_RNA)
where:
Base-Base interactions energy: -92.581
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.767
local terms energy: -56.481664
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -102.619954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.619954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.619954 (E_RNA)
where:
Base-Base interactions energy: -49.899
where: short stacking energy: -38.078
Base-Backbone interact. energy: -0.108
local terms energy: -52.613257
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -8.552
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: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -98.219425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.219425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.219425 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.121
local terms energy: -61.824702
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -83.690915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.690915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.690915 (E_RNA)
where:
Base-Base interactions energy: -25.288
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.139
local terms energy: -58.263296
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -80.602271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.602271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.602271 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -29.169
Base-Backbone interact. energy: -0.100
local terms energy: -48.404770
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: 1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -225.227807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.227807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.227807 (E_RNA)
where:
Base-Base interactions energy: -144.127
where: short stacking energy: -86.006
Base-Backbone interact. energy: -0.001
local terms energy: -81.100352
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -197.928764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.928764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.928764 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.085
local terms energy: -76.642540
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -194.969039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.969039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.969039 (E_RNA)
where:
Base-Base interactions energy: -117.424
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.127
local terms energy: -77.417831
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -13.348
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: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -167.171673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.171673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.171673 (E_RNA)
where:
Base-Base interactions energy: -97.537
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.719
local terms energy: -68.915602
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -11.479
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -171.456447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.456447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.456447 (E_RNA)
where:
Base-Base interactions energy: -102.539
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.023
local terms energy: -68.894079
where:
bonds (distance) C4'-P energy: -7.531
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -154.019502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.019502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.019502 (E_RNA)
where:
Base-Base interactions energy: -96.971
where: short stacking energy: -48.173
Base-Backbone interact. energy: -0.818
local terms energy: -56.231069
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -101.800188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.800188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.800188 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -46.651
Base-Backbone interact. energy: -0.048
local terms energy: -53.065219
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -84.666611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.666611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.666611 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -38.671
Base-Backbone interact. energy: 1.207
local terms energy: -47.084735
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -7.347
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -86.971533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971533 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -42.186
Base-Backbone interact. energy: -0.214
local terms energy: -44.571730
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -80.905892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.905892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.905892 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.469
local terms energy: -48.561722
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -214.432224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.432224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432224 (E_RNA)
where:
Base-Base interactions energy: -131.493
where: short stacking energy: -76.870
Base-Backbone interact. energy: -0.008
local terms energy: -82.931858
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -24.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -212.850073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.850073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.850073 (E_RNA)
where:
Base-Base interactions energy: -132.653
where: short stacking energy: -79.037
Base-Backbone interact. energy: -0.049
local terms energy: -80.147987
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -175.691310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.691310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.691310 (E_RNA)
where:
Base-Base interactions energy: -104.252
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.055
local terms energy: -71.384709
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -172.650116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.650116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.650116 (E_RNA)
where:
Base-Base interactions energy: -97.246
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.111
local terms energy: -75.293380
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -175.741925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.741925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.741925 (E_RNA)
where:
Base-Base interactions energy: -106.200
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.079
local terms energy: -69.462640
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -148.334466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.334466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.334466 (E_RNA)
where:
Base-Base interactions energy: -93.342
where: short stacking energy: -39.194
Base-Backbone interact. energy: -0.132
local terms energy: -54.861015
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -102.753874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.753874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.753874 (E_RNA)
where:
Base-Base interactions energy: -42.632
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.157
local terms energy: -59.965128
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -94.539114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.539114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.539114 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -35.456
Base-Backbone interact. energy: 0.785
local terms energy: -59.868029
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -6.727
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: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -97.018473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.018473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.018473 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -38.937
Base-Backbone interact. energy: -0.174
local terms energy: -55.210625
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -89.966869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.966869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.966869 (E_RNA)
where:
Base-Base interactions energy: -43.773
where: short stacking energy: -22.413
Base-Backbone interact. energy: -0.035
local terms energy: -46.158754
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -2.193
tors. eta vs tors. theta energy: -1.588
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: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -212.070887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.070887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.070887 (E_RNA)
where:
Base-Base interactions energy: -127.795
where: short stacking energy: -83.695
Base-Backbone interact. energy: 0.058
local terms energy: -84.333933
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -23.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -219.925298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.925298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.925298 (E_RNA)
where:
Base-Base interactions energy: -135.186
where: short stacking energy: -80.942
Base-Backbone interact. energy: -1.615
local terms energy: -83.124215
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -26.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -182.125260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.125260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.125260 (E_RNA)
where:
Base-Base interactions energy: -109.851
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.050
local terms energy: -72.225061
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -172.985540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.985540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.985540 (E_RNA)
where:
Base-Base interactions energy: -100.977
where: short stacking energy: -58.907
Base-Backbone interact. energy: 0.917
local terms energy: -72.925639
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -169.733288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.733288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.733288 (E_RNA)
where:
Base-Base interactions energy: -96.439
where: short stacking energy: -49.846
Base-Backbone interact. energy: -1.265
local terms energy: -72.028968
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -148.535098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.535098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.535098 (E_RNA)
where:
Base-Base interactions energy: -80.892
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.707
local terms energy: -66.935754
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -15.201
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: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -94.524785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.524785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.524785 (E_RNA)
where:
Base-Base interactions energy: -45.782
where: short stacking energy: -43.849
Base-Backbone interact. energy: -0.178
local terms energy: -48.565235
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -79.737017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.737017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.737017 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -28.326
Base-Backbone interact. energy: 0.600
local terms energy: -46.148514
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: 2.051
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: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -78.763152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.763152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.763152 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -33.889
Base-Backbone interact. energy: -0.131
local terms energy: -44.429797
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -98.329870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329870 (E_RNA)
where:
Base-Base interactions energy: -52.912
where: short stacking energy: -22.064
Base-Backbone interact. energy: -0.058
local terms energy: -45.360199
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -221.474871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.474871 (E_RNA)
where:
Base-Base interactions energy: -138.091
where: short stacking energy: -72.553
Base-Backbone interact. energy: -0.008
local terms energy: -83.375395
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -215.232803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.232803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.232803 (E_RNA)
where:
Base-Base interactions energy: -135.763
where: short stacking energy: -79.689
Base-Backbone interact. energy: -0.013
local terms energy: -79.456569
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -21.248
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: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -178.088184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.088184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.088184 (E_RNA)
where:
Base-Base interactions energy: -103.327
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.137
local terms energy: -74.623829
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -160.601243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.601243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.601243 (E_RNA)
where:
Base-Base interactions energy: -94.787
where: short stacking energy: -52.861
Base-Backbone interact. energy: -0.228
local terms energy: -65.586748
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -11.469
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: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -172.451935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.451935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.451935 (E_RNA)
where:
Base-Base interactions energy: -104.062
where: short stacking energy: -52.176
Base-Backbone interact. energy: -0.024
local terms energy: -68.365910
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -146.303997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.303997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.303997 (E_RNA)
where:
Base-Base interactions energy: -85.095
where: short stacking energy: -46.363
Base-Backbone interact. energy: -0.220
local terms energy: -60.988221
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.030
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -89.066857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.066857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.066857 (E_RNA)
where:
Base-Base interactions energy: -34.000
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.204
local terms energy: -54.862538
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -5.291
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: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -86.919564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.919564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.919564 (E_RNA)
where:
Base-Base interactions energy: -30.590
where: short stacking energy: -28.745
Base-Backbone interact. energy: -1.269
local terms energy: -55.060468
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -101.235806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.235806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.235806 (E_RNA)
where:
Base-Base interactions energy: -45.031
where: short stacking energy: -43.043
Base-Backbone interact. energy: -1.375
local terms energy: -54.829840
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.105
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: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -83.385306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.385306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.385306 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -34.761
Base-Backbone interact. energy: -0.622
local terms energy: -48.001811
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -4.588
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -216.658253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.658253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.658253 (E_RNA)
where:
Base-Base interactions energy: -128.951
where: short stacking energy: -72.363
Base-Backbone interact. energy: -0.089
local terms energy: -87.618115
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -203.535463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.535463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.535463 (E_RNA)
where:
Base-Base interactions energy: -126.122
where: short stacking energy: -57.801
Base-Backbone interact. energy: -0.119
local terms energy: -77.295339
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -19.755
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: 311
Temperature: 1.000000
Total energy: -175.608985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.608985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.608985 (E_RNA)
where:
Base-Base interactions energy: -102.767
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.023
local terms energy: -72.818790
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -178.017361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.017361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.017361 (E_RNA)
where:
Base-Base interactions energy: -106.184
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.001
local terms energy: -71.833163
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -15.123
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: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -163.488679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.488679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.488679 (E_RNA)
where:
Base-Base interactions energy: -95.174
where: short stacking energy: -51.892
Base-Backbone interact. energy: -0.279
local terms energy: -68.036075
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -138.533131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.533131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.533131 (E_RNA)
where:
Base-Base interactions energy: -79.166
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.001
local terms energy: -59.365720
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -93.802553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.802553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.802553 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -36.216
Base-Backbone interact. energy: -0.213
local terms energy: -57.373306
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -103.118838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.118838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.118838 (E_RNA)
where:
Base-Base interactions energy: -45.919
where: short stacking energy: -39.860
Base-Backbone interact. energy: -0.046
local terms energy: -57.153460
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -6.897
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: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -96.139832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139832 (E_RNA)
where:
Base-Base interactions energy: -44.770
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.029
local terms energy: -51.341709
where:
bonds (distance) C4'-P energy: -4.073
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -88.262792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.262792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.262792 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -38.029
Base-Backbone interact. energy: 1.401
local terms energy: -47.700515
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -216.184770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.184770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.184770 (E_RNA)
where:
Base-Base interactions energy: -138.270
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.118
local terms energy: -77.796357
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -217.086847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.086847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.086847 (E_RNA)
where:
Base-Base interactions energy: -135.802
where: short stacking energy: -79.777
Base-Backbone interact. energy: -0.412
local terms energy: -80.872956
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -23.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -179.351092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.351092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.351092 (E_RNA)
where:
Base-Base interactions energy: -106.788
where: short stacking energy: -58.229
Base-Backbone interact. energy: -0.060
local terms energy: -72.503683
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -174.723732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.723732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.723732 (E_RNA)
where:
Base-Base interactions energy: -102.820
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.084
local terms energy: -71.820287
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -14.155
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: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -171.291619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.291619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.291619 (E_RNA)
where:
Base-Base interactions energy: -100.040
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.152
local terms energy: -71.099663
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -141.362341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.362341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.362341 (E_RNA)
where:
Base-Base interactions energy: -78.042
where: short stacking energy: -44.311
Base-Backbone interact. energy: 0.424
local terms energy: -63.745031
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.281
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: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -93.278615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278615 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.038
local terms energy: -54.943311
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -7.435
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: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -92.211374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211374 (E_RNA)
where:
Base-Base interactions energy: -43.246
where: short stacking energy: -37.654
Base-Backbone interact. energy: 0.067
local terms energy: -49.032436
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -3.540
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -84.324598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.324598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.324598 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -19.713
Base-Backbone interact. energy: -0.474
local terms energy: -50.030882
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: 1.746
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -86.199702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.199702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.199702 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -28.558
Base-Backbone interact. energy: 0.576
local terms energy: -47.995118
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -217.937603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.937603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.937603 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -73.749
Base-Backbone interact. energy: -0.040
local terms energy: -78.668586
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -216.846420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.846420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.846420 (E_RNA)
where:
Base-Base interactions energy: -134.791
where: short stacking energy: -81.567
Base-Backbone interact. energy: -0.017
local terms energy: -82.038026
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -178.523538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.523538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.523538 (E_RNA)
where:
Base-Base interactions energy: -112.976
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.506
local terms energy: -65.040970
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -13.635
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -170.416190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.416190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.416190 (E_RNA)
where:
Base-Base interactions energy: -103.833
where: short stacking energy: -61.330
Base-Backbone interact. energy: -0.087
local terms energy: -66.495678
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -153.366745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.366745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.366745 (E_RNA)
where:
Base-Base interactions energy: -96.947
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.130
local terms energy: -56.289574
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -5.318
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: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -112.711010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.711010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.711010 (E_RNA)
where:
Base-Base interactions energy: -54.895
where: short stacking energy: -54.895
Base-Backbone interact. energy: -0.047
local terms energy: -57.768548
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -149.655429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.655429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.655429 (E_RNA)
where:
Base-Base interactions energy: -91.995
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.297
local terms energy: -57.363884
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -10.369
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: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -92.292866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.292866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.292866 (E_RNA)
where:
Base-Base interactions energy: -35.142
where: short stacking energy: -24.947
Base-Backbone interact. energy: -0.143
local terms energy: -57.007119
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -82.958307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958307 (E_RNA)
where:
Base-Base interactions energy: -29.083
where: short stacking energy: -29.083
Base-Backbone interact. energy: -0.134
local terms energy: -53.741814
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -4.940
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: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -83.658677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.658677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.658677 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -30.213
Base-Backbone interact. energy: -0.032
local terms energy: -53.414290
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -220.091047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.091047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.091047 (E_RNA)
where:
Base-Base interactions energy: -141.427
where: short stacking energy: -79.218
Base-Backbone interact. energy: -1.368
local terms energy: -77.296454
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -210.846679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.846679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.846679 (E_RNA)
where:
Base-Base interactions energy: -138.543
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.079
local terms energy: -72.224966
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -176.025058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.025058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.025058 (E_RNA)
where:
Base-Base interactions energy: -102.893
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.191
local terms energy: -72.940860
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -173.520465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.520465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.520465 (E_RNA)
where:
Base-Base interactions energy: -106.740
where: short stacking energy: -60.183
Base-Backbone interact. energy: 0.191
local terms energy: -66.971343
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -13.324
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: 314
Temperature: 1.100000
Total energy: -155.071372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.071372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.071372 (E_RNA)
where:
Base-Base interactions energy: -90.131
where: short stacking energy: -45.857
Base-Backbone interact. energy: -0.103
local terms energy: -64.837424
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -11.062
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: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -102.445696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445696 (E_RNA)
where:
Base-Base interactions energy: -49.808
where: short stacking energy: -41.230
Base-Backbone interact. energy: 1.224
local terms energy: -53.861183
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -153.004646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.004646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.004646 (E_RNA)
where:
Base-Base interactions energy: -93.138
where: short stacking energy: -53.087
Base-Backbone interact. energy: -0.310
local terms energy: -59.556192
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -102.420575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.420575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.420575 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -40.376
Base-Backbone interact. energy: 0.889
local terms energy: -62.933564
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -112.548277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.548277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.548277 (E_RNA)
where:
Base-Base interactions energy: -69.422
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.142
local terms energy: -42.983942
where:
bonds (distance) C4'-P energy: -6.194
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -76.461949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.461949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.461949 (E_RNA)
where:
Base-Base interactions energy: -23.372
where: short stacking energy: -22.582
Base-Backbone interact. energy: -0.269
local terms energy: -52.820779
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -224.479294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.479294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.479294 (E_RNA)
where:
Base-Base interactions energy: -129.971
where: short stacking energy: -82.914
Base-Backbone interact. energy: -0.001
local terms energy: -94.507864
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -203.366783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.366783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.366783 (E_RNA)
where:
Base-Base interactions energy: -125.213
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.001
local terms energy: -78.153395
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -175.359029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.359029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.359029 (E_RNA)
where:
Base-Base interactions energy: -105.089
where: short stacking energy: -58.948
Base-Backbone interact. energy: -0.029
local terms energy: -70.240680
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -169.631151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.631151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.631151 (E_RNA)
where:
Base-Base interactions energy: -100.350
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.050
local terms energy: -69.230633
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -156.027340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.027340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.027340 (E_RNA)
where:
Base-Base interactions energy: -84.534
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.166
local terms energy: -71.327426
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -148.920538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.920538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.920538 (E_RNA)
where:
Base-Base interactions energy: -82.492
where: short stacking energy: -41.644
Base-Backbone interact. energy: -0.091
local terms energy: -66.337436
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -8.981
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: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -109.996686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.996686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.996686 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.141
local terms energy: -65.093408
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -121.943800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.943800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.943800 (E_RNA)
where:
Base-Base interactions energy: -70.720
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.123
local terms energy: -51.101016
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -3.980
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: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -80.636908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636908 (E_RNA)
where:
Base-Base interactions energy: -24.888
where: short stacking energy: -24.888
Base-Backbone interact. energy: -0.361
local terms energy: -55.388569
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -99.246427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.246427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.246427 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.015
local terms energy: -52.735776
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.732
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: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -206.237605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.237605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.237605 (E_RNA)
where:
Base-Base interactions energy: -130.024
where: short stacking energy: -70.665
Base-Backbone interact. energy: 0.606
local terms energy: -76.819834
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -201.446098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.446098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.446098 (E_RNA)
where:
Base-Base interactions energy: -125.434
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.110
local terms energy: -75.902257
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -173.949022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.949022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.949022 (E_RNA)
where:
Base-Base interactions energy: -103.374
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.021
local terms energy: -70.554952
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -171.900815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.900815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.900815 (E_RNA)
where:
Base-Base interactions energy: -98.523
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.158
local terms energy: -73.219992
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -17.531
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: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -173.251606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.251606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.251606 (E_RNA)
where:
Base-Base interactions energy: -102.320
where: short stacking energy: -60.785
Base-Backbone interact. energy: 0.278
local terms energy: -71.209580
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -18.645
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: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -160.702608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.702608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.702608 (E_RNA)
where:
Base-Base interactions energy: -94.547
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.893
local terms energy: -65.262960
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -109.427539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.427539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.427539 (E_RNA)
where:
Base-Base interactions energy: -51.739
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.241
local terms energy: -57.447100
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -8.667
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -9.291
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: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -123.996789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.996789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.996789 (E_RNA)
where:
Base-Base interactions energy: -55.383
where: short stacking energy: -45.877
Base-Backbone interact. energy: -1.132
local terms energy: -67.481825
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -11.071
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: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -90.823690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823690 (E_RNA)
where:
Base-Base interactions energy: -39.545
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.061
local terms energy: -51.217929
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -96.897219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897219 (E_RNA)
where:
Base-Base interactions energy: -42.148
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.847
local terms energy: -53.902527
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -2.438
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: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -220.496560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.496560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.496560 (E_RNA)
where:
Base-Base interactions energy: -139.426
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.079
local terms energy: -80.992050
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -207.414055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.414055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.414055 (E_RNA)
where:
Base-Base interactions energy: -128.430
where: short stacking energy: -76.360
Base-Backbone interact. energy: -0.098
local terms energy: -78.885810
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -182.215659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.215659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.215659 (E_RNA)
where:
Base-Base interactions energy: -116.067
where: short stacking energy: -53.352
Base-Backbone interact. energy: -0.301
local terms energy: -65.847128
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -12.204
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: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -166.074911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.074911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.074911 (E_RNA)
where:
Base-Base interactions energy: -96.737
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.176
local terms energy: -69.161879
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -12.561
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -170.482141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.482141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.482141 (E_RNA)
where:
Base-Base interactions energy: -92.419
where: short stacking energy: -54.236
Base-Backbone interact. energy: -0.081
local terms energy: -77.982064
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -162.486895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.486895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.486895 (E_RNA)
where:
Base-Base interactions energy: -97.315
where: short stacking energy: -48.113
Base-Backbone interact. energy: 1.288
local terms energy: -66.459547
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -97.611996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.611996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.611996 (E_RNA)
where:
Base-Base interactions energy: -40.738
where: short stacking energy: -39.792
Base-Backbone interact. energy: -0.384
local terms energy: -56.489584
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -89.390041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.390041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.390041 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.200
local terms energy: -57.590179
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -10.525
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: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -79.543093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.543093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.543093 (E_RNA)
where:
Base-Base interactions energy: -34.733
where: short stacking energy: -34.733
Base-Backbone interact. energy: -0.011
local terms energy: -44.799242
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -7.782
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: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -83.988274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.988274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.988274 (E_RNA)
where:
Base-Base interactions energy: -29.920
where: short stacking energy: -28.837
Base-Backbone interact. energy: -0.203
local terms energy: -53.865773
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -7.176
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: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -217.596520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.596520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.596520 (E_RNA)
where:
Base-Base interactions energy: -136.106
where: short stacking energy: -78.737
Base-Backbone interact. energy: -1.297
local terms energy: -80.193439
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -211.785185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.785185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.785185 (E_RNA)
where:
Base-Base interactions energy: -131.700
where: short stacking energy: -76.688
Base-Backbone interact. energy: -0.001
local terms energy: -80.084576
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -186.535425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.535425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.535425 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.078
local terms energy: -75.157303
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -170.839061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.839061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.839061 (E_RNA)
where:
Base-Base interactions energy: -103.007
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.236
local terms energy: -67.596448
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -14.499
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: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -154.076509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.076509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.076509 (E_RNA)
where:
Base-Base interactions energy: -97.269
where: short stacking energy: -55.298
Base-Backbone interact. energy: -0.106
local terms energy: -56.701537
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -154.745104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.745104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.745104 (E_RNA)
where:
Base-Base interactions energy: -99.658
where: short stacking energy: -56.347
Base-Backbone interact. energy: 0.655
local terms energy: -55.741558
where:
bonds (distance) C4'-P energy: -6.401
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -102.595452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.595452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.595452 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.829
local terms energy: -64.890617
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -104.742098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.742098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.742098 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -36.824
Base-Backbone interact. energy: -0.064
local terms energy: -67.853738
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -13.580
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: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -91.586948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.586948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.586948 (E_RNA)
where:
Base-Base interactions energy: -48.559
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.060
local terms energy: -42.967529
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -97.668968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.668968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.668968 (E_RNA)
where:
Base-Base interactions energy: -51.831
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.252
local terms energy: -45.585800
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -216.563429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.563429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.563429 (E_RNA)
where:
Base-Base interactions energy: -136.442
where: short stacking energy: -83.828
Base-Backbone interact. energy: -0.061
local terms energy: -80.060435
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -220.306470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.306470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.306470 (E_RNA)
where:
Base-Base interactions energy: -136.643
where: short stacking energy: -72.656
Base-Backbone interact. energy: -0.074
local terms energy: -83.589196
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -185.636128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.636128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.636128 (E_RNA)
where:
Base-Base interactions energy: -115.773
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.008
local terms energy: -69.855218
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -19.890
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -157.310695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.310695 (E_RNA)
where:
Base-Base interactions energy: -92.128
where: short stacking energy: -56.450
Base-Backbone interact. energy: 0.729
local terms energy: -65.911490
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -164.939072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.939072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.939072 (E_RNA)
where:
Base-Base interactions energy: -95.534
where: short stacking energy: -58.166
Base-Backbone interact. energy: -0.375
local terms energy: -69.030089
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -166.008846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.008846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.008846 (E_RNA)
where:
Base-Base interactions energy: -92.973
where: short stacking energy: -47.750
Base-Backbone interact. energy: -0.383
local terms energy: -72.653466
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -14.902
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -104.440298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.440298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.440298 (E_RNA)
where:
Base-Base interactions energy: -51.625
where: short stacking energy: -37.956
Base-Backbone interact. energy: -0.162
local terms energy: -52.653057
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -158.476349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.476349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.476349 (E_RNA)
where:
Base-Base interactions energy: -100.038
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.717
local terms energy: -57.721629
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -5.135
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: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -79.384375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384375 (E_RNA)
where:
Base-Base interactions energy: -26.391
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.148
local terms energy: -52.846193
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -69.332207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.332207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.332207 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -17.687
Base-Backbone interact. energy: -0.559
local terms energy: -45.687149
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -217.765323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.765323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.765323 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -84.109
Base-Backbone interact. energy: -0.013
local terms energy: -82.268645
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -208.658906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.658906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.658906 (E_RNA)
where:
Base-Base interactions energy: -124.505
where: short stacking energy: -74.498
Base-Backbone interact. energy: -0.007
local terms energy: -84.147668
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -23.015
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: 320
Temperature: 1.000000
Total energy: -187.004391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.004391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.004391 (E_RNA)
where:
Base-Base interactions energy: -113.002
where: short stacking energy: -71.831
Base-Backbone interact. energy: -0.039
local terms energy: -73.963362
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -16.300
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: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -174.800119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.800119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.800119 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -58.862
Base-Backbone interact. energy: -0.005
local terms energy: -69.810282
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -171.354344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.354344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.354344 (E_RNA)
where:
Base-Base interactions energy: -106.553
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.070
local terms energy: -64.732146
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -150.317214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.317214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.317214 (E_RNA)
where:
Base-Base interactions energy: -92.644
where: short stacking energy: -45.068
Base-Backbone interact. energy: 0.267
local terms energy: -57.939460
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -168.498393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.498393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.498393 (E_RNA)
where:
Base-Base interactions energy: -99.505
where: short stacking energy: -61.344
Base-Backbone interact. energy: 0.543
local terms energy: -69.536455
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -14.362
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: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -96.695743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.695743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.695743 (E_RNA)
where:
Base-Base interactions energy: -40.146
where: short stacking energy: -40.146
Base-Backbone interact. energy: -0.126
local terms energy: -56.423574
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -7.529
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: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -80.960439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.960439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.960439 (E_RNA)
where:
Base-Base interactions energy: -26.008
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.207
local terms energy: -54.746064
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -1.226
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: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -71.956540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.956540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.956540 (E_RNA)
where:
Base-Base interactions energy: -16.936
where: short stacking energy: -14.723
Base-Backbone interact. energy: -0.279
local terms energy: -54.741714
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -215.088819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.088819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.088819 (E_RNA)
where:
Base-Base interactions energy: -132.447
where: short stacking energy: -79.243
Base-Backbone interact. energy: -0.005
local terms energy: -82.636249
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -208.497064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.497064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.497064 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.090
local terms energy: -75.610089
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -170.336881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.336881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.336881 (E_RNA)
where:
Base-Base interactions energy: -101.316
where: short stacking energy: -61.673
Base-Backbone interact. energy: -0.180
local terms energy: -68.840859
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -164.919645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.919645 (E_RNA)
where:
Base-Base interactions energy: -99.094
where: short stacking energy: -48.444
Base-Backbone interact. energy: -0.462
local terms energy: -65.364069
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -10.226
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: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -173.861970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.861970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.861970 (E_RNA)
where:
Base-Base interactions energy: -97.532
where: short stacking energy: -61.944
Base-Backbone interact. energy: 0.682
local terms energy: -77.012247
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -158.491066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.491066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.491066 (E_RNA)
where:
Base-Base interactions energy: -87.303
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.065
local terms energy: -71.123531
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -12.700
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: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -144.147444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.147444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.147444 (E_RNA)
where:
Base-Base interactions energy: -79.520
where: short stacking energy: -44.038
Base-Backbone interact. energy: -0.128
local terms energy: -64.499558
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.847
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: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -90.146694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.146694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.146694 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.161
local terms energy: -60.169615
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -12.602
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: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -83.594588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594588 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -33.839
Base-Backbone interact. energy: -0.254
local terms energy: -48.539223
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -93.002861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.002861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.002861 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -35.028
Base-Backbone interact. energy: -0.320
local terms energy: -54.840442
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -1.410
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: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -222.529541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.529541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.529541 (E_RNA)
where:
Base-Base interactions energy: -136.416
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.015
local terms energy: -86.099191
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -21.214
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: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -211.685545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.685545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.685545 (E_RNA)
where:
Base-Base interactions energy: -127.075
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.017
local terms energy: -84.593722
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -168.963185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.963185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.963185 (E_RNA)
where:
Base-Base interactions energy: -95.855
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.144
local terms energy: -72.964301
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -14.073
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: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -166.779395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.779395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.779395 (E_RNA)
where:
Base-Base interactions energy: -105.509
where: short stacking energy: -56.074
Base-Backbone interact. energy: -0.365
local terms energy: -60.905984
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -154.108880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.108880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.108880 (E_RNA)
where:
Base-Base interactions energy: -86.772
where: short stacking energy: -47.878
Base-Backbone interact. energy: 1.515
local terms energy: -68.851985
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -164.673209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.673209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.673209 (E_RNA)
where:
Base-Base interactions energy: -99.491
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.040
local terms energy: -65.142463
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -155.464848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.464848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.464848 (E_RNA)
where:
Base-Base interactions energy: -90.728
where: short stacking energy: -49.113
Base-Backbone interact. energy: -0.389
local terms energy: -64.348213
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.407
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: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -90.377153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.377153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.377153 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.018
local terms energy: -51.107384
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -94.990635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.990635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.990635 (E_RNA)
where:
Base-Base interactions energy: -43.448
where: short stacking energy: -36.205
Base-Backbone interact. energy: 0.160
local terms energy: -51.703022
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.568
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: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -77.571436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.571436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.571436 (E_RNA)
where:
Base-Base interactions energy: -25.347
where: short stacking energy: -25.347
Base-Backbone interact. energy: -0.313
local terms energy: -51.911543
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -221.364059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.364059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.364059 (E_RNA)
where:
Base-Base interactions energy: -132.611
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.007
local terms energy: -88.745756
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -24.219
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: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -210.739681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.739681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.739681 (E_RNA)
where:
Base-Base interactions energy: -126.711
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.007
local terms energy: -84.021508
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -187.502267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.502267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502267 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.044
local terms energy: -69.324191
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -179.218681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.218681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.218681 (E_RNA)
where:
Base-Base interactions energy: -114.481
where: short stacking energy: -66.391
Base-Backbone interact. energy: -0.021
local terms energy: -64.717127
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -164.822512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.822512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.822512 (E_RNA)
where:
Base-Base interactions energy: -96.902
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.148
local terms energy: -67.772067
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -165.512894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.512894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.512894 (E_RNA)
where:
Base-Base interactions energy: -98.411
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.307
local terms energy: -66.794492
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -177.537062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.537062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.537062 (E_RNA)
where:
Base-Base interactions energy: -100.640
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.294
local terms energy: -76.603085
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -89.514690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514690 (E_RNA)
where:
Base-Base interactions energy: -38.929
where: short stacking energy: -39.129
Base-Backbone interact. energy: 0.299
local terms energy: -50.884432
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -3.329
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -102.265332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.265332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.265332 (E_RNA)
where:
Base-Base interactions energy: -54.258
where: short stacking energy: -29.500
Base-Backbone interact. energy: -0.428
local terms energy: -47.579619
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -90.407123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.407123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.407123 (E_RNA)
where:
Base-Base interactions energy: -32.636
where: short stacking energy: -28.515
Base-Backbone interact. energy: 0.121
local terms energy: -57.891831
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -223.343134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.343134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.343134 (E_RNA)
where:
Base-Base interactions energy: -134.184
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.156
local terms energy: -89.003457
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -200.017627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.017627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.017627 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.056
local terms energy: -76.316243
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -191.545691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.545691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.545691 (E_RNA)
where:
Base-Base interactions energy: -113.321
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.018
local terms energy: -78.207221
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -181.505734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.505734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.505734 (E_RNA)
where:
Base-Base interactions energy: -103.717
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.059
local terms energy: -77.729972
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -161.755407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.755407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.755407 (E_RNA)
where:
Base-Base interactions energy: -94.220
where: short stacking energy: -59.097
Base-Backbone interact. energy: 0.569
local terms energy: -68.104532
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -164.363878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.363878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.363878 (E_RNA)
where:
Base-Base interactions energy: -96.359
where: short stacking energy: -50.618
Base-Backbone interact. energy: -0.013
local terms energy: -67.991434
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -144.140146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.140146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.140146 (E_RNA)
where:
Base-Base interactions energy: -79.253
where: short stacking energy: -35.549
Base-Backbone interact. energy: 0.451
local terms energy: -65.338019
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -93.330949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330949 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.320
local terms energy: -52.971929
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -5.804
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -92.303454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.303454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.303454 (E_RNA)
where:
Base-Base interactions energy: -35.157
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.075
local terms energy: -57.071471
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.095
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: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -90.312665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.312665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.312665 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -24.408
Base-Backbone interact. energy: -0.173
local terms energy: -53.852525
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -217.107612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.107612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.107612 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -77.195
Base-Backbone interact. energy: -0.757
local terms energy: -85.134808
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -194.947351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.947351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.947351 (E_RNA)
where:
Base-Base interactions energy: -112.093
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.013
local terms energy: -82.841834
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -22.716
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: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -192.995053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.995053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.995053 (E_RNA)
where:
Base-Base interactions energy: -125.602
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.007
local terms energy: -67.386201
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -164.581843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.581843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.581843 (E_RNA)
where:
Base-Base interactions energy: -103.227
where: short stacking energy: -61.859
Base-Backbone interact. energy: 1.101
local terms energy: -62.455834
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -147.363756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.363756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.363756 (E_RNA)
where:
Base-Base interactions energy: -86.271
where: short stacking energy: -51.972
Base-Backbone interact. energy: -0.106
local terms energy: -60.986171
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -153.741646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.741646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.741646 (E_RNA)
where:
Base-Base interactions energy: -88.797
where: short stacking energy: -43.268
Base-Backbone interact. energy: -0.040
local terms energy: -64.905032
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -4.902
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: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -136.507424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.507424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.507424 (E_RNA)
where:
Base-Base interactions energy: -74.631
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.618
local terms energy: -61.258262
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -9.463
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: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -88.925273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.925273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.925273 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -39.399
Base-Backbone interact. energy: -0.020
local terms energy: -49.506207
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -90.204031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204031 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -37.200
Base-Backbone interact. energy: -0.890
local terms energy: -45.554304
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -0.851
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -92.373895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.373895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.373895 (E_RNA)
where:
Base-Base interactions energy: -40.262
where: short stacking energy: -40.262
Base-Backbone interact. energy: 1.266
local terms energy: -53.377556
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -208.483838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.483838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.483838 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -75.787
Base-Backbone interact. energy: -0.101
local terms energy: -80.065730
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -189.119148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.119148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.119148 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.002
local terms energy: -73.690242
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -166.066158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.066158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.066158 (E_RNA)
where:
Base-Base interactions energy: -99.870
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.005
local terms energy: -66.190626
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -12.026
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: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -181.840942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.840942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.840942 (E_RNA)
where:
Base-Base interactions energy: -107.461
where: short stacking energy: -52.607
Base-Backbone interact. energy: -0.027
local terms energy: -74.352292
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -9.702
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: 326
Temperature: 1.100000
Total energy: -170.658715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.658715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.658715 (E_RNA)
where:
Base-Base interactions energy: -100.718
where: short stacking energy: -60.768
Base-Backbone interact. energy: 0.516
local terms energy: -70.457185
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -154.868149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.868149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.868149 (E_RNA)
where:
Base-Base interactions energy: -81.853
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.039
local terms energy: -72.976126
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -144.740558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.740558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.740558 (E_RNA)
where:
Base-Base interactions energy: -84.391
where: short stacking energy: -54.852
Base-Backbone interact. energy: 1.915
local terms energy: -62.263866
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -78.490523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490523 (E_RNA)
where:
Base-Base interactions energy: -20.593
where: short stacking energy: -20.593
Base-Backbone interact. energy: -0.027
local terms energy: -57.870150
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -8.020
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: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -83.838906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.838906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.838906 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.913
local terms energy: -50.561718
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -8.603
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: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -79.514006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.514006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.514006 (E_RNA)
where:
Base-Base interactions energy: -24.078
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.085
local terms energy: -55.350721
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -210.637332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.637332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.637332 (E_RNA)
where:
Base-Base interactions energy: -125.100
where: short stacking energy: -77.873
Base-Backbone interact. energy: -0.011
local terms energy: -85.526311
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -198.858424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.858424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858424 (E_RNA)
where:
Base-Base interactions energy: -117.777
where: short stacking energy: -74.584
Base-Backbone interact. energy: 0.745
local terms energy: -81.827216
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -22.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -177.541302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.541302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.541302 (E_RNA)
where:
Base-Base interactions energy: -104.966
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.118
local terms energy: -72.457341
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -194.134338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134338 (E_RNA)
where:
Base-Base interactions energy: -118.442
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.167
local terms energy: -75.525685
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -177.409066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.409066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.409066 (E_RNA)
where:
Base-Base interactions energy: -106.281
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.216
local terms energy: -70.911998
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -143.996704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.996704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.996704 (E_RNA)
where:
Base-Base interactions energy: -84.020
where: short stacking energy: -55.369
Base-Backbone interact. energy: 0.101
local terms energy: -60.077826
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -151.275906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.275906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.275906 (E_RNA)
where:
Base-Base interactions energy: -87.922
where: short stacking energy: -53.461
Base-Backbone interact. energy: -0.180
local terms energy: -63.173647
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -88.135143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.135143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.135143 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -31.607
Base-Backbone interact. energy: -0.294
local terms energy: -56.234053
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.744
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: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -89.438972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.438972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.438972 (E_RNA)
where:
Base-Base interactions energy: -47.275
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.242
local terms energy: -41.921839
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.925790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.925790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.925790 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -28.263
Base-Backbone interact. energy: 0.934
local terms energy: -56.984683
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -5.021
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: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -211.024693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.024693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.024693 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -78.701
Base-Backbone interact. energy: -0.007
local terms energy: -80.368738
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -22.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -213.718918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.718918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.718918 (E_RNA)
where:
Base-Base interactions energy: -132.597
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.017
local terms energy: -81.105187
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -20.630
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: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -201.644397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.644397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.644397 (E_RNA)
where:
Base-Base interactions energy: -120.473
where: short stacking energy: -61.028
Base-Backbone interact. energy: -0.632
local terms energy: -80.539504
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -19.468
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: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -170.353861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.353861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.353861 (E_RNA)
where:
Base-Base interactions energy: -101.379
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.127
local terms energy: -68.847535
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -10.420
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: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -141.195161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.195161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.195161 (E_RNA)
where:
Base-Base interactions energy: -77.431
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.130
local terms energy: -63.634205
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -6.628
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: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -169.478157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.478157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.478157 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -53.836
Base-Backbone interact. energy: 0.125
local terms energy: -73.038841
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -155.059152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.059152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.059152 (E_RNA)
where:
Base-Base interactions energy: -93.555
where: short stacking energy: -53.298
Base-Backbone interact. energy: -0.013
local terms energy: -61.490966
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -11.805
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: 328
Temperature: 1.250000
Total energy: -89.489608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.489608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.489608 (E_RNA)
where:
Base-Base interactions energy: -32.337
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.859
local terms energy: -56.293934
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -4.558
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: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -92.929055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.929055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.929055 (E_RNA)
where:
Base-Base interactions energy: -31.915
where: short stacking energy: -31.915
Base-Backbone interact. energy: -0.006
local terms energy: -61.008169
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -72.866644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.866644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.866644 (E_RNA)
where:
Base-Base interactions energy: -31.476
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.669
local terms energy: -40.721794
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -1.449
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: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -201.449551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.449551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.449551 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -71.807
Base-Backbone interact. energy: -0.007
local terms energy: -80.019893
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -217.227871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.227871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.227871 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -79.921
Base-Backbone interact. energy: -0.047
local terms energy: -77.830870
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -22.782
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: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -203.634452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.634452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.634452 (E_RNA)
where:
Base-Base interactions energy: -124.787
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.038
local terms energy: -78.808762
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -153.153991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.153991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.153991 (E_RNA)
where:
Base-Base interactions energy: -89.040
where: short stacking energy: -55.009
Base-Backbone interact. energy: -0.201
local terms energy: -63.912971
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -170.949757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.949757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.949757 (E_RNA)
where:
Base-Base interactions energy: -104.271
where: short stacking energy: -65.125
Base-Backbone interact. energy: -0.010
local terms energy: -66.669094
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -19.526
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -154.864985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.864985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.864985 (E_RNA)
where:
Base-Base interactions energy: -93.531
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.076
local terms energy: -61.257888
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -155.055677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.055677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.055677 (E_RNA)
where:
Base-Base interactions energy: -93.569
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.090
local terms energy: -61.396327
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -12.048
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: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -85.238510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.238510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.238510 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -26.480
Base-Backbone interact. energy: -0.078
local terms energy: -49.373335
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.502
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: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -86.011111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011111 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.089
local terms energy: -43.879091
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -4.060
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: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -77.618606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.618606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.618606 (E_RNA)
where:
Base-Base interactions energy: -31.152
where: short stacking energy: -18.783
Base-Backbone interact. energy: -0.187
local terms energy: -46.279252
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: 2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -221.440642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.440642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.440642 (E_RNA)
where:
Base-Base interactions energy: -131.150
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.405
local terms energy: -89.885292
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -178.527571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.527571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.527571 (E_RNA)
where:
Base-Base interactions energy: -107.597
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.077
local terms energy: -70.853168
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -16.567
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: 330
Temperature: 1.000000
Total energy: -206.918704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.918704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.918704 (E_RNA)
where:
Base-Base interactions energy: -131.295
where: short stacking energy: -76.706
Base-Backbone interact. energy: -0.089
local terms energy: -75.534283
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -165.391302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.391302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.391302 (E_RNA)
where:
Base-Base interactions energy: -94.499
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.073
local terms energy: -70.819763
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -13.216
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: 330
Temperature: 1.100000
Total energy: -175.161390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161390 (E_RNA)
where:
Base-Base interactions energy: -104.000
where: short stacking energy: -58.203
Base-Backbone interact. energy: -0.002
local terms energy: -71.159368
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -156.348534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.348534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.348534 (E_RNA)
where:
Base-Base interactions energy: -94.049
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.023
local terms energy: -62.276111
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -9.800
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: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -156.969074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.969074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.969074 (E_RNA)
where:
Base-Base interactions energy: -93.793
where: short stacking energy: -58.291
Base-Backbone interact. energy: -0.024
local terms energy: -63.151978
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -16.545
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: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -88.791346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791346 (E_RNA)
where:
Base-Base interactions energy: -28.432
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.090
local terms energy: -60.269527
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -85.789500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.789500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.789500 (E_RNA)
where:
Base-Base interactions energy: -42.166
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.157
local terms energy: -43.466650
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: 0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -72.308699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.308699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.308699 (E_RNA)
where:
Base-Base interactions energy: -20.574
where: short stacking energy: -20.574
Base-Backbone interact. energy: -0.102
local terms energy: -51.632203
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -217.676882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.676882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.676882 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -78.606
Base-Backbone interact. energy: -0.060
local terms energy: -86.829506
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -191.969052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.969052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.969052 (E_RNA)
where:
Base-Base interactions energy: -124.714
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.008
local terms energy: -67.247441
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -174.423581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.423581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.423581 (E_RNA)
where:
Base-Base interactions energy: -103.288
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.129
local terms energy: -71.006563
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -166.397703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.397703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.397703 (E_RNA)
where:
Base-Base interactions energy: -91.194
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.020
local terms energy: -75.183304
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -174.570047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570047 (E_RNA)
where:
Base-Base interactions energy: -102.145
where: short stacking energy: -52.741
Base-Backbone interact. energy: -0.029
local terms energy: -72.396828
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -16.522
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: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -155.807968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.807968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.807968 (E_RNA)
where:
Base-Base interactions energy: -90.999
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.138
local terms energy: -64.671036
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -160.324483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.324483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.324483 (E_RNA)
where:
Base-Base interactions energy: -92.761
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.006
local terms energy: -67.557065
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -9.714
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: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -96.430474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.430474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.430474 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -33.926
Base-Backbone interact. energy: -0.173
local terms energy: -61.669922
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -9.993
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: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -78.633905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.633905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.633905 (E_RNA)
where:
Base-Base interactions energy: -23.776
where: short stacking energy: -19.377
Base-Backbone interact. energy: -0.292
local terms energy: -54.566133
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -85.085399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.085399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.085399 (E_RNA)
where:
Base-Base interactions energy: -33.255
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.345
local terms energy: -51.484997
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -215.081542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.081542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.081542 (E_RNA)
where:
Base-Base interactions energy: -129.441
where: short stacking energy: -74.074
Base-Backbone interact. energy: -0.009
local terms energy: -85.631683
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -213.870601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.870601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.870601 (E_RNA)
where:
Base-Base interactions energy: -133.763
where: short stacking energy: -71.812
Base-Backbone interact. energy: -0.010
local terms energy: -80.097382
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -22.259
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: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -178.876119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.876119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.876119 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.076
local terms energy: -71.369426
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -171.888882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.888882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.888882 (E_RNA)
where:
Base-Base interactions energy: -100.659
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.002
local terms energy: -71.228079
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.589
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: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -169.929677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.929677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.929677 (E_RNA)
where:
Base-Base interactions energy: -93.258
where: short stacking energy: -50.901
Base-Backbone interact. energy: -0.044
local terms energy: -76.627705
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -13.355
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -159.707732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.707732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.707732 (E_RNA)
where:
Base-Base interactions energy: -96.075
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.265
local terms energy: -63.368086
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -8.898
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: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -162.894800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.894800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.894800 (E_RNA)
where:
Base-Base interactions energy: -107.576
where: short stacking energy: -63.404
Base-Backbone interact. energy: -0.144
local terms energy: -55.174884
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -91.057801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.057801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.057801 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.174
local terms energy: -56.679846
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -3.957
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -92.226118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.226118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.226118 (E_RNA)
where:
Base-Base interactions energy: -37.287
where: short stacking energy: -26.762
Base-Backbone interact. energy: -0.044
local terms energy: -54.894903
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -74.875263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.875263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.875263 (E_RNA)
where:
Base-Base interactions energy: -24.418
where: short stacking energy: -24.418
Base-Backbone interact. energy: -0.801
local terms energy: -49.656082
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -12.672
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: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -214.703841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.703841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.703841 (E_RNA)
where:
Base-Base interactions energy: -134.077
where: short stacking energy: -75.466
Base-Backbone interact. energy: -0.005
local terms energy: -80.621822
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -219.505506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.505506 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.644
local terms energy: -81.344899
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -186.665548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.665548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.665548 (E_RNA)
where:
Base-Base interactions energy: -112.378
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.015
local terms energy: -74.273360
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -20.145
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: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -177.051232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.051232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.051232 (E_RNA)
where:
Base-Base interactions energy: -103.860
where: short stacking energy: -52.924
Base-Backbone interact. energy: -0.190
local terms energy: -73.001095
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -146.584434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.584434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.584434 (E_RNA)
where:
Base-Base interactions energy: -88.386
where: short stacking energy: -41.713
Base-Backbone interact. energy: -0.129
local terms energy: -58.069580
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -9.758
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: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -178.583541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.583541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.583541 (E_RNA)
where:
Base-Base interactions energy: -104.713
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.110
local terms energy: -73.761168
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -15.727
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: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -150.647440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.647440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.647440 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.180
local terms energy: -58.361292
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -98.239797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239797 (E_RNA)
where:
Base-Base interactions energy: -47.470
where: short stacking energy: -38.103
Base-Backbone interact. energy: -0.244
local terms energy: -50.525259
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -84.140837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.140837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.140837 (E_RNA)
where:
Base-Base interactions energy: -31.212
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.195
local terms energy: -52.733871
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -78.020489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.020489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.020489 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.299
local terms energy: -49.794543
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -212.172991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.172991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.172991 (E_RNA)
where:
Base-Base interactions energy: -133.700
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.013
local terms energy: -78.460254
where:
bonds (distance) C4'-P energy: -8.375
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -20.624
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: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -213.253543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253543 (E_RNA)
where:
Base-Base interactions energy: -139.503
where: short stacking energy: -81.219
Base-Backbone interact. energy: 0.369
local terms energy: -74.118957
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -22.125
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: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -185.785389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.785389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.785389 (E_RNA)
where:
Base-Base interactions energy: -114.070
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.382
local terms energy: -71.334047
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -178.615435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.615435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.615435 (E_RNA)
where:
Base-Base interactions energy: -106.584
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.145
local terms energy: -71.886191
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -154.752738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.752738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.752738 (E_RNA)
where:
Base-Base interactions energy: -91.261
where: short stacking energy: -57.656
Base-Backbone interact. energy: -0.025
local terms energy: -63.467459
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.746
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: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -153.167858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.167858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.167858 (E_RNA)
where:
Base-Base interactions energy: -94.719
where: short stacking energy: -56.158
Base-Backbone interact. energy: 0.347
local terms energy: -58.796225
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -96.519782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.519782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.519782 (E_RNA)
where:
Base-Base interactions energy: -40.865
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.115
local terms energy: -55.539463
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -137.065797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.065797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.065797 (E_RNA)
where:
Base-Base interactions energy: -83.182
where: short stacking energy: -42.605
Base-Backbone interact. energy: -0.069
local terms energy: -53.814413
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -0.992
tors. eta vs tors. theta energy: -9.099
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: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -100.234363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.234363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.234363 (E_RNA)
where:
Base-Base interactions energy: -42.498
where: short stacking energy: -42.141
Base-Backbone interact. energy: -0.045
local terms energy: -57.691686
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -89.679574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.679574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.679574 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -23.757
Base-Backbone interact. energy: -0.373
local terms energy: -44.924505
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -220.035914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.035914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.035914 (E_RNA)
where:
Base-Base interactions energy: -138.202
where: short stacking energy: -81.114
Base-Backbone interact. energy: -0.254
local terms energy: -81.579386
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -23.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -224.854609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.854609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.854609 (E_RNA)
where:
Base-Base interactions energy: -136.219
where: short stacking energy: -81.672
Base-Backbone interact. energy: -0.463
local terms energy: -88.171800
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -24.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -187.716629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.716629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.716629 (E_RNA)
where:
Base-Base interactions energy: -110.879
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.013
local terms energy: -76.824681
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -182.836272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.836272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.836272 (E_RNA)
where:
Base-Base interactions energy: -109.476
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.087
local terms energy: -73.272726
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -156.730545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.730545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.730545 (E_RNA)
where:
Base-Base interactions energy: -101.945
where: short stacking energy: -54.560
Base-Backbone interact. energy: 0.816
local terms energy: -55.601236
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -158.506433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.506433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.506433 (E_RNA)
where:
Base-Base interactions energy: -89.611
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.391
local terms energy: -68.503683
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.152
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: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -98.279504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.279504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.279504 (E_RNA)
where:
Base-Base interactions energy: -52.015
where: short stacking energy: -36.539
Base-Backbone interact. energy: -0.012
local terms energy: -46.251919
where:
bonds (distance) C4'-P energy: -5.596
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -82.096635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.096635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.096635 (E_RNA)
where:
Base-Base interactions energy: -28.240
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.215
local terms energy: -53.641953
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -135.522067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.522067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.522067 (E_RNA)
where:
Base-Base interactions energy: -74.333
where: short stacking energy: -32.499
Base-Backbone interact. energy: -0.603
local terms energy: -60.585563
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -80.522092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.522092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.522092 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -29.537
Base-Backbone interact. energy: -0.200
local terms energy: -51.384804
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -220.258039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.258039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.258039 (E_RNA)
where:
Base-Base interactions energy: -136.917
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.002
local terms energy: -83.339030
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -197.512230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.512230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.512230 (E_RNA)
where:
Base-Base interactions energy: -126.642
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.387
local terms energy: -70.483387
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -193.033734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.033734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.033734 (E_RNA)
where:
Base-Base interactions energy: -113.334
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.047
local terms energy: -79.652511
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -176.403652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.403652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.403652 (E_RNA)
where:
Base-Base interactions energy: -106.441
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.973
local terms energy: -68.990093
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -170.865013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.865013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.865013 (E_RNA)
where:
Base-Base interactions energy: -102.365
where: short stacking energy: -54.313
Base-Backbone interact. energy: 1.054
local terms energy: -69.554393
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -158.726486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.726486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.726486 (E_RNA)
where:
Base-Base interactions energy: -93.719
where: short stacking energy: -56.530
Base-Backbone interact. energy: 0.249
local terms energy: -65.256656
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -117.883588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.883588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.883588 (E_RNA)
where:
Base-Base interactions energy: -56.957
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.184
local terms energy: -60.742618
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -12.048
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: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -109.878799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.878799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.878799 (E_RNA)
where:
Base-Base interactions energy: -53.668
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.190
local terms energy: -56.020561
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -141.682071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.682071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.682071 (E_RNA)
where:
Base-Base interactions energy: -77.846
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.011
local terms energy: -63.824885
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.465
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: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -84.750207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.750207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.750207 (E_RNA)
where:
Base-Base interactions energy: -26.475
where: short stacking energy: -26.475
Base-Backbone interact. energy: -0.056
local terms energy: -58.219463
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -221.625458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.625458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.625458 (E_RNA)
where:
Base-Base interactions energy: -140.326
where: short stacking energy: -83.438
Base-Backbone interact. energy: -0.012
local terms energy: -81.287409
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -205.665953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.665953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.665953 (E_RNA)
where:
Base-Base interactions energy: -130.614
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.299
local terms energy: -74.752355
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -13.415
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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -180.549338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.549338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.549338 (E_RNA)
where:
Base-Base interactions energy: -110.480
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.093
local terms energy: -69.976955
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -167.525658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.525658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.525658 (E_RNA)
where:
Base-Base interactions energy: -98.892
where: short stacking energy: -54.862
Base-Backbone interact. energy: 1.785
local terms energy: -70.418681
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -10.930
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: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -179.132179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.132179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.132179 (E_RNA)
where:
Base-Base interactions energy: -112.400
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.410
local terms energy: -66.321965
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -176.428693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.428693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.428693 (E_RNA)
where:
Base-Base interactions energy: -108.014
where: short stacking energy: -51.373
Base-Backbone interact. energy: -0.466
local terms energy: -67.948823
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -13.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -97.889270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.889270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.889270 (E_RNA)
where:
Base-Base interactions energy: -46.466
where: short stacking energy: -46.466
Base-Backbone interact. energy: 0.708
local terms energy: -52.131894
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -7.873
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: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -115.254751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.254751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.254751 (E_RNA)
where:
Base-Base interactions energy: -61.142
where: short stacking energy: -46.137
Base-Backbone interact. energy: -0.173
local terms energy: -53.939867
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -6.826
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: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -104.401209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.401209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.401209 (E_RNA)
where:
Base-Base interactions energy: -59.733
where: short stacking energy: -32.094
Base-Backbone interact. energy: -0.126
local terms energy: -44.542281
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -107.307140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.307140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.307140 (E_RNA)
where:
Base-Base interactions energy: -55.159
where: short stacking energy: -24.672
Base-Backbone interact. energy: -0.122
local terms energy: -52.026352
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: 3.099
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: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -222.040543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.040543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.040543 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -77.872
Base-Backbone interact. energy: -0.003
local terms energy: -84.958118
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -213.625500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.625500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625500 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -69.793
Base-Backbone interact. energy: -0.332
local terms energy: -78.461655
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -179.861547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.861547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.861547 (E_RNA)
where:
Base-Base interactions energy: -106.528
where: short stacking energy: -62.532
Base-Backbone interact. energy: -0.339
local terms energy: -72.993831
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -164.459200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.459200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.459200 (E_RNA)
where:
Base-Base interactions energy: -102.852
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.294
local terms energy: -61.313179
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -177.034231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.034231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.034231 (E_RNA)
where:
Base-Base interactions energy: -108.582
where: short stacking energy: -52.850
Base-Backbone interact. energy: 0.991
local terms energy: -69.442556
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -13.119
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: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -161.579114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.579114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.579114 (E_RNA)
where:
Base-Base interactions energy: -90.478
where: short stacking energy: -48.816
Base-Backbone interact. energy: 0.085
local terms energy: -71.186233
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -15.950
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: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -83.765582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.765582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.765582 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.483
local terms energy: -51.873590
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -95.837835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.837835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.837835 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -44.217
Base-Backbone interact. energy: -0.127
local terms energy: -51.493417
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -95.722709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.722709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.722709 (E_RNA)
where:
Base-Base interactions energy: -37.533
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.265
local terms energy: -57.924709
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -9.127
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: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -81.822077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.822077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.822077 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -23.404
Base-Backbone interact. energy: -0.452
local terms energy: -45.118051
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: 1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -220.558020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.558020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.558020 (E_RNA)
where:
Base-Base interactions energy: -141.051
where: short stacking energy: -81.860
Base-Backbone interact. energy: -0.001
local terms energy: -79.506334
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -204.237370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.237370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.237370 (E_RNA)
where:
Base-Base interactions energy: -129.927
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.315
local terms energy: -73.995923
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -15.833
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: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -184.752408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.752408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.752408 (E_RNA)
where:
Base-Base interactions energy: -113.763
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.683
local terms energy: -70.306918
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -18.581
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: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -178.596148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.596148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.596148 (E_RNA)
where:
Base-Base interactions energy: -101.218
where: short stacking energy: -60.747
Base-Backbone interact. energy: -0.197
local terms energy: -77.180978
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -166.917501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.917501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.917501 (E_RNA)
where:
Base-Base interactions energy: -98.242
where: short stacking energy: -62.895
Base-Backbone interact. energy: 0.166
local terms energy: -68.841078
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -14.318
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: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -171.292980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.292980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.292980 (E_RNA)
where:
Base-Base interactions energy: -100.231
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.002
local terms energy: -71.060038
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -20.291
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -100.853825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.853825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.853825 (E_RNA)
where:
Base-Base interactions energy: -47.492
where: short stacking energy: -47.492
Base-Backbone interact. energy: -0.029
local terms energy: -53.332519
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -8.283
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -1.095
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: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -97.168576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.168576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.168576 (E_RNA)
where:
Base-Base interactions energy: -37.988
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.075
local terms energy: -59.106220
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -13.741
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: 9, replica: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -87.027525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.027525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.027525 (E_RNA)
where:
Base-Base interactions energy: -29.057
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.476
local terms energy: -57.494570
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -78.657437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.657437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.657437 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -26.009
Base-Backbone interact. energy: 1.732
local terms energy: -49.498676
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -0.026
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: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -214.843307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.843307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.843307 (E_RNA)
where:
Base-Base interactions energy: -137.111
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.037
local terms energy: -77.695639
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -19.362
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: 340
Temperature: 0.950000
Total energy: -205.944137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.944137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.944137 (E_RNA)
where:
Base-Base interactions energy: -128.922
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.036
local terms energy: -76.985825
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -182.470468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.470468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.470468 (E_RNA)
where:
Base-Base interactions energy: -110.455
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.092
local terms energy: -71.923135
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -171.637712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.637712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.637712 (E_RNA)
where:
Base-Base interactions energy: -105.700
where: short stacking energy: -65.482
Base-Backbone interact. energy: -0.046
local terms energy: -65.891572
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -170.769154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.769154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.769154 (E_RNA)
where:
Base-Base interactions energy: -102.714
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.066
local terms energy: -67.988350
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.834
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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -133.799415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.799415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.799415 (E_RNA)
where:
Base-Base interactions energy: -78.805
where: short stacking energy: -39.113
Base-Backbone interact. energy: -0.480
local terms energy: -54.514240
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -8.954
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: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -93.479993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.479993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.479993 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.025
local terms energy: -57.518176
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -95.603124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.603124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.603124 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.092
local terms energy: -50.576103
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -123.956127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.956127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.956127 (E_RNA)
where:
Base-Base interactions energy: -67.829
where: short stacking energy: -36.650
Base-Backbone interact. energy: -0.169
local terms energy: -55.957967
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -94.808468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.808468 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -37.477
Base-Backbone interact. energy: -0.187
local terms energy: -57.144328
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -12.025
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: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -216.277272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.277272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.277272 (E_RNA)
where:
Base-Base interactions energy: -139.342
where: short stacking energy: -67.258
Base-Backbone interact. energy: -0.017
local terms energy: -76.917960
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -212.939625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.939625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.939625 (E_RNA)
where:
Base-Base interactions energy: -130.233
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.102
local terms energy: -82.604887
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -22.658
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: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -192.971738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971738 (E_RNA)
where:
Base-Base interactions energy: -121.303
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.449
local terms energy: -71.219445
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -173.327034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.327034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.327034 (E_RNA)
where:
Base-Base interactions energy: -103.338
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.229
local terms energy: -69.759806
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -173.293745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.293745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.293745 (E_RNA)
where:
Base-Base interactions energy: -103.000
where: short stacking energy: -57.424
Base-Backbone interact. energy: -0.424
local terms energy: -69.869712
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.205
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: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -158.582113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.582113 (E_RNA)
where:
Base-Base interactions energy: -95.857
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.342
local terms energy: -62.383172
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -2.544
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -97.694648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.694648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.694648 (E_RNA)
where:
Base-Base interactions energy: -37.992
where: short stacking energy: -37.992
Base-Backbone interact. energy: 1.013
local terms energy: -60.716027
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -125.025057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.025057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.025057 (E_RNA)
where:
Base-Base interactions energy: -73.101
where: short stacking energy: -39.007
Base-Backbone interact. energy: -0.256
local terms energy: -51.668128
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -95.902565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.902565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.902565 (E_RNA)
where:
Base-Base interactions energy: -44.830
where: short stacking energy: -19.142
Base-Backbone interact. energy: -0.169
local terms energy: -50.903559
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: 1.747
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: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -83.312147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.312147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.312147 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -25.454
Base-Backbone interact. energy: 0.355
local terms energy: -52.579956
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -219.099137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.099137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.099137 (E_RNA)
where:
Base-Base interactions energy: -139.590
where: short stacking energy: -74.891
Base-Backbone interact. energy: -0.001
local terms energy: -79.507509
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -206.115866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.115866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.115866 (E_RNA)
where:
Base-Base interactions energy: -124.233
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.045
local terms energy: -81.838053
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -197.503327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.503327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.503327 (E_RNA)
where:
Base-Base interactions energy: -121.430
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.122
local terms energy: -75.951006
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -163.520262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.520262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.520262 (E_RNA)
where:
Base-Base interactions energy: -99.729
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.060
local terms energy: -63.730821
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -163.706575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.706575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.706575 (E_RNA)
where:
Base-Base interactions energy: -97.834
where: short stacking energy: -54.486
Base-Backbone interact. energy: -0.240
local terms energy: -65.631792
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -13.545
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -179.014300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.014300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.014300 (E_RNA)
where:
Base-Base interactions energy: -105.833
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.596
local terms energy: -72.585625
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -18.127
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: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -151.158047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.158047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.158047 (E_RNA)
where:
Base-Base interactions energy: -94.091
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.041
local terms energy: -57.025238
where:
bonds (distance) C4'-P energy: -3.639
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -93.989530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989530 (E_RNA)
where:
Base-Base interactions energy: -40.785
where: short stacking energy: -40.785
Base-Backbone interact. energy: -0.102
local terms energy: -53.102247
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -1.028
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -88.262395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.262395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.262395 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -28.169
Base-Backbone interact. energy: 0.951
local terms energy: -50.535547
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -82.779228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.779228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.779228 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -25.260
Base-Backbone interact. energy: -0.421
local terms energy: -43.070540
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -218.797337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.797337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.797337 (E_RNA)
where:
Base-Base interactions energy: -143.004
where: short stacking energy: -83.760
Base-Backbone interact. energy: -0.007
local terms energy: -75.785858
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -200.802148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.802148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.802148 (E_RNA)
where:
Base-Base interactions energy: -129.368
where: short stacking energy: -66.331
Base-Backbone interact. energy: 0.468
local terms energy: -71.902035
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -192.089447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.089447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.089447 (E_RNA)
where:
Base-Base interactions energy: -117.231
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.007
local terms energy: -74.852041
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -170.058520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.058520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.058520 (E_RNA)
where:
Base-Base interactions energy: -98.243
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.128
local terms energy: -71.687243
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -165.262317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.262317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.262317 (E_RNA)
where:
Base-Base interactions energy: -96.925
where: short stacking energy: -54.403
Base-Backbone interact. energy: 0.026
local terms energy: -68.363371
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -161.381903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.381903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.381903 (E_RNA)
where:
Base-Base interactions energy: -95.781
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.033
local terms energy: -65.567769
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -11.999
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: 343
Temperature: 1.200000
Total energy: -168.990311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.990311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.990311 (E_RNA)
where:
Base-Base interactions energy: -101.245
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.050
local terms energy: -67.695445
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -100.570594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.570594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.570594 (E_RNA)
where:
Base-Base interactions energy: -46.205
where: short stacking energy: -35.549
Base-Backbone interact. energy: -0.201
local terms energy: -54.164939
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -86.401183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.401183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.401183 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.205
local terms energy: -55.372253
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -82.602306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.602306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.602306 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.044
local terms energy: -56.314213
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.670
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: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -215.452432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.452432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.452432 (E_RNA)
where:
Base-Base interactions energy: -131.361
where: short stacking energy: -65.993
Base-Backbone interact. energy: -0.139
local terms energy: -83.952422
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -207.724991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.724991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.724991 (E_RNA)
where:
Base-Base interactions energy: -124.875
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.006
local terms energy: -82.844138
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -191.288778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.288778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.288778 (E_RNA)
where:
Base-Base interactions energy: -114.728
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.067
local terms energy: -76.494179
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -180.016758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.016758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.016758 (E_RNA)
where:
Base-Base interactions energy: -109.846
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.022
local terms energy: -70.148879
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -191.259162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.259162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.259162 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.007
local terms energy: -76.843885
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -150.949301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.949301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.949301 (E_RNA)
where:
Base-Base interactions energy: -95.287
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.111
local terms energy: -55.550996
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -11.290
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: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -152.712561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.712561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.712561 (E_RNA)
where:
Base-Base interactions energy: -96.049
where: short stacking energy: -49.190
Base-Backbone interact. energy: -0.574
local terms energy: -56.089572
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.938
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: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -99.991265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.991265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.991265 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.225
local terms energy: -65.238100
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -85.537240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.537240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.537240 (E_RNA)
where:
Base-Base interactions energy: -34.654
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.454
local terms energy: -50.428608
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: 0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -77.272705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.272705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.272705 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -35.702
Base-Backbone interact. energy: -0.161
local terms energy: -41.409636
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -213.027637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.027637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.027637 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -74.652
Base-Backbone interact. energy: -0.073
local terms energy: -82.547001
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -218.594906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.594906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.594906 (E_RNA)
where:
Base-Base interactions energy: -137.445
where: short stacking energy: -84.378
Base-Backbone interact. energy: -0.003
local terms energy: -81.146819
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -184.432216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.432216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.432216 (E_RNA)
where:
Base-Base interactions energy: -109.496
where: short stacking energy: -63.138
Base-Backbone interact. energy: 2.094
local terms energy: -77.030662
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -186.392911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.392911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.392911 (E_RNA)
where:
Base-Base interactions energy: -108.712
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.455
local terms energy: -77.225008
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -12.841
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: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -160.472825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.472825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.472825 (E_RNA)
where:
Base-Base interactions energy: -101.528
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.154
local terms energy: -58.790688
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -10.684
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -162.956684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.956684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.956684 (E_RNA)
where:
Base-Base interactions energy: -92.287
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.045
local terms energy: -70.625085
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.664
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: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -158.315901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.315901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.315901 (E_RNA)
where:
Base-Base interactions energy: -92.057
where: short stacking energy: -45.104
Base-Backbone interact. energy: -0.342
local terms energy: -65.916362
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -11.695
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: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -101.004200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.004200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.004200 (E_RNA)
where:
Base-Base interactions energy: -50.281
where: short stacking energy: -50.281
Base-Backbone interact. energy: -0.017
local terms energy: -50.705774
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -8.554
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: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -79.087551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087551 (E_RNA)
where:
Base-Base interactions energy: -28.154
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.458
local terms energy: -50.475544
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -77.671354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.671354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.671354 (E_RNA)
where:
Base-Base interactions energy: -30.232
where: short stacking energy: -30.232
Base-Backbone interact. energy: 3.878
local terms energy: -51.317390
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -218.669229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.669229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.669229 (E_RNA)
where:
Base-Base interactions energy: -131.316
where: short stacking energy: -75.754
Base-Backbone interact. energy: -2.459
local terms energy: -84.893824
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -196.693717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.693717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.693717 (E_RNA)
where:
Base-Base interactions energy: -114.998
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.318
local terms energy: -81.377645
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -193.219047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.219047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.219047 (E_RNA)
where:
Base-Base interactions energy: -108.795
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.016
local terms energy: -84.407728
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -181.686424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.686424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.686424 (E_RNA)
where:
Base-Base interactions energy: -105.306
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.014
local terms energy: -76.366602
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -164.145995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.145995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.145995 (E_RNA)
where:
Base-Base interactions energy: -99.778
where: short stacking energy: -49.347
Base-Backbone interact. energy: -0.458
local terms energy: -63.909823
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -147.635208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.635208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.635208 (E_RNA)
where:
Base-Base interactions energy: -92.310
where: short stacking energy: -52.476
Base-Backbone interact. energy: 0.775
local terms energy: -56.100282
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -146.089933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.089933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.089933 (E_RNA)
where:
Base-Base interactions energy: -91.969
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.125
local terms energy: -53.995689
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -85.176853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.176853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.176853 (E_RNA)
where:
Base-Base interactions energy: -30.928
where: short stacking energy: -27.776
Base-Backbone interact. energy: -0.502
local terms energy: -53.746963
where:
bonds (distance) C4'-P energy: -6.364
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.987
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: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -99.566531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.566531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.566531 (E_RNA)
where:
Base-Base interactions energy: -48.799
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.085
local terms energy: -50.682993
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -4.963
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: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -84.078690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078690 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.061
local terms energy: -51.399886
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -223.945175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.945175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.945175 (E_RNA)
where:
Base-Base interactions energy: -138.892
where: short stacking energy: -86.214
Base-Backbone interact. energy: -0.127
local terms energy: -84.926403
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -24.054
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: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -196.862178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.862178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.862178 (E_RNA)
where:
Base-Base interactions energy: -112.836
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.001
local terms energy: -84.025050
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -202.806361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.806361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.806361 (E_RNA)
where:
Base-Base interactions energy: -127.353
where: short stacking energy: -75.914
Base-Backbone interact. energy: -0.244
local terms energy: -75.208593
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -167.299369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.299369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.299369 (E_RNA)
where:
Base-Base interactions energy: -93.937
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.165
local terms energy: -73.197598
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -163.212274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.212274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.212274 (E_RNA)
where:
Base-Base interactions energy: -97.437
where: short stacking energy: -44.485
Base-Backbone interact. energy: 0.990
local terms energy: -66.765172
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -160.120852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.120852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.120852 (E_RNA)
where:
Base-Base interactions energy: -102.723
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.152
local terms energy: -57.245897
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -148.150831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.150831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.150831 (E_RNA)
where:
Base-Base interactions energy: -84.585
where: short stacking energy: -48.943
Base-Backbone interact. energy: 0.150
local terms energy: -63.715921
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -13.428
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: 347
Temperature: 1.250000
Total energy: -89.530151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530151 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -33.723
Base-Backbone interact. energy: -0.015
local terms energy: -39.406542
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -1.251
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -81.284207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284207 (E_RNA)
where:
Base-Base interactions energy: -28.732
where: short stacking energy: -25.395
Base-Backbone interact. energy: 2.311
local terms energy: -54.863172
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -89.039316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.039316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.039316 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.334
local terms energy: -49.600898
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -5.353
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: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -205.882880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.882880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.882880 (E_RNA)
where:
Base-Base interactions energy: -124.901
where: short stacking energy: -75.193
Base-Backbone interact. energy: -0.008
local terms energy: -80.973627
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -214.719077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.719077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.719077 (E_RNA)
where:
Base-Base interactions energy: -132.770
where: short stacking energy: -76.682
Base-Backbone interact. energy: -0.003
local terms energy: -81.946376
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -205.836720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.836720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.836720 (E_RNA)
where:
Base-Base interactions energy: -128.806
where: short stacking energy: -71.747
Base-Backbone interact. energy: -0.038
local terms energy: -76.993176
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -178.402020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.402020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402020 (E_RNA)
where:
Base-Base interactions energy: -106.777
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.007
local terms energy: -71.617601
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -157.823232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.823232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.823232 (E_RNA)
where:
Base-Base interactions energy: -88.065
where: short stacking energy: -47.508
Base-Backbone interact. energy: -0.067
local terms energy: -69.691790
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -14.387
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: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -154.856089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.856089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.856089 (E_RNA)
where:
Base-Base interactions energy: -91.675
where: short stacking energy: -43.502
Base-Backbone interact. energy: -0.002
local terms energy: -63.179066
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.510
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: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -102.145444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.145444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.145444 (E_RNA)
where:
Base-Base interactions energy: -40.483
where: short stacking energy: -32.684
Base-Backbone interact. energy: 0.810
local terms energy: -62.472702
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -136.914628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.914628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.914628 (E_RNA)
where:
Base-Base interactions energy: -75.819
where: short stacking energy: -41.124
Base-Backbone interact. energy: -0.102
local terms energy: -60.994052
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -11.079
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: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.781881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.781881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.781881 (E_RNA)
where:
Base-Base interactions energy: -33.027
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.207
local terms energy: -54.548321
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -84.301288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301288 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.104
local terms energy: -54.460478
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -5.687
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: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -218.907766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.907766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.907766 (E_RNA)
where:
Base-Base interactions energy: -135.708
where: short stacking energy: -83.076
Base-Backbone interact. energy: -0.226
local terms energy: -82.973457
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -216.177483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.177483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.177483 (E_RNA)
where:
Base-Base interactions energy: -131.930
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.022
local terms energy: -84.224631
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -211.215063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.215063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.215063 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -75.720
Base-Backbone interact. energy: -0.055
local terms energy: -79.392345
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -174.014783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014783 (E_RNA)
where:
Base-Base interactions energy: -100.034
where: short stacking energy: -60.267
Base-Backbone interact. energy: 1.085
local terms energy: -75.065018
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -11.597
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: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -159.621896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.621896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.621896 (E_RNA)
where:
Base-Base interactions energy: -100.482
where: short stacking energy: -51.593
Base-Backbone interact. energy: 1.403
local terms energy: -60.542919
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -9.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -156.907416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.907416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.907416 (E_RNA)
where:
Base-Base interactions energy: -92.457
where: short stacking energy: -50.031
Base-Backbone interact. energy: -0.209
local terms energy: -64.241376
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -92.064382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064382 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -30.603
Base-Backbone interact. energy: 0.183
local terms energy: -58.946749
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -89.934986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.934986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.934986 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -26.427
Base-Backbone interact. energy: 0.262
local terms energy: -56.021828
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -91.226011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.226011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.226011 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.010
local terms energy: -50.596049
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -86.854194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.854194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.854194 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -21.211
Base-Backbone interact. energy: -0.258
local terms energy: -55.334821
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -211.439512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.439512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.439512 (E_RNA)
where:
Base-Base interactions energy: -131.406
where: short stacking energy: -79.544
Base-Backbone interact. energy: -0.032
local terms energy: -80.001253
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -22.930
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: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -214.151043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.151043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.151043 (E_RNA)
where:
Base-Base interactions energy: -133.801
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.001
local terms energy: -80.349573
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -205.700992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.700992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.700992 (E_RNA)
where:
Base-Base interactions energy: -128.921
where: short stacking energy: -80.208
Base-Backbone interact. energy: -0.012
local terms energy: -76.768067
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -21.976
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: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -174.325007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.325007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.325007 (E_RNA)
where:
Base-Base interactions energy: -105.616
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.192
local terms energy: -68.517263
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -175.955160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.955160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.955160 (E_RNA)
where:
Base-Base interactions energy: -107.874
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.087
local terms energy: -67.993933
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -144.885928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.885928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.885928 (E_RNA)
where:
Base-Base interactions energy: -89.811
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.059
local terms energy: -55.016349
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -94.765548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.765548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.765548 (E_RNA)
where:
Base-Base interactions energy: -30.417
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.212
local terms energy: -64.136203
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -87.052087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.052087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.052087 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -27.688
Base-Backbone interact. energy: 0.555
local terms energy: -57.174253
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -7.102
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: 350
Temperature: 1.300000
Total energy: -86.734981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734981 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -37.147
Base-Backbone interact. energy: -0.173
local terms energy: -48.600680
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -1.685
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: 350
Temperature: 1.350000
Total energy: -82.480136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.480136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.480136 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.179
local terms energy: -56.985280
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.707
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: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -203.494751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.494751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.494751 (E_RNA)
where:
Base-Base interactions energy: -120.230
where: short stacking energy: -75.100
Base-Backbone interact. energy: -0.008
local terms energy: -83.257259
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -198.040609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.040609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.040609 (E_RNA)
where:
Base-Base interactions energy: -121.706
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.011
local terms energy: -76.323151
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -220.500644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.500644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.500644 (E_RNA)
where:
Base-Base interactions energy: -137.554
where: short stacking energy: -85.783
Base-Backbone interact. energy: -0.016
local terms energy: -82.930402
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -26.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -176.304373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.304373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.304373 (E_RNA)
where:
Base-Base interactions energy: -100.175
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.063
local terms energy: -76.066201
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -164.666762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.666762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.666762 (E_RNA)
where:
Base-Base interactions energy: -93.806
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.072
local terms energy: -70.789346
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -13.711
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: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -168.014297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.014297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.014297 (E_RNA)
where:
Base-Base interactions energy: -99.194
where: short stacking energy: -47.608
Base-Backbone interact. energy: -0.606
local terms energy: -68.213765
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -129.012411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.012411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.012411 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.027
local terms energy: -42.744622
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: 1.690
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -109.873920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.873920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.873920 (E_RNA)
where:
Base-Base interactions energy: -55.810
where: short stacking energy: -33.738
Base-Backbone interact. energy: 0.392
local terms energy: -54.455592
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -4.233
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -96.868845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.868845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.868845 (E_RNA)
where:
Base-Base interactions energy: -45.295
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.112
local terms energy: -51.462189
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -95.543720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543720 (E_RNA)
where:
Base-Base interactions energy: -35.586
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.252
local terms energy: -59.704863
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.598
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: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -207.031203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.031203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.031203 (E_RNA)
where:
Base-Base interactions energy: -130.187
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.003
local terms energy: -76.841693
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -197.951885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.951885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.951885 (E_RNA)
where:
Base-Base interactions energy: -120.755
where: short stacking energy: -74.210
Base-Backbone interact. energy: -0.040
local terms energy: -77.156454
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -178.585462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.585462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.585462 (E_RNA)
where:
Base-Base interactions energy: -108.300
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.006
local terms energy: -70.279115
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -15.030
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: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -210.417158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.417158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.417158 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.001
local terms energy: -85.954223
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -18.558
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: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -175.112906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.112906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.112906 (E_RNA)
where:
Base-Base interactions energy: -101.460
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.003
local terms energy: -73.649870
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -152.871521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.871521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.871521 (E_RNA)
where:
Base-Base interactions energy: -77.395
where: short stacking energy: -40.293
Base-Backbone interact. energy: -0.542
local terms energy: -74.934813
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -143.127278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.127278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.127278 (E_RNA)
where:
Base-Base interactions energy: -90.082
where: short stacking energy: -35.409
Base-Backbone interact. energy: -0.206
local terms energy: -52.839459
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -96.843631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.843631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.843631 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -39.387
Base-Backbone interact. energy: -0.254
local terms energy: -56.937520
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -9.911
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: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -90.346493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.346493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.346493 (E_RNA)
where:
Base-Base interactions energy: -34.705
where: short stacking energy: -34.705
Base-Backbone interact. energy: -0.139
local terms energy: -55.502980
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -77.411004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.411004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.411004 (E_RNA)
where:
Base-Base interactions energy: -21.912
where: short stacking energy: -21.912
Base-Backbone interact. energy: 0.223
local terms energy: -55.721691
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -214.597251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.597251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.597251 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.746
local terms energy: -81.489123
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -24.977
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: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -204.116934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.116934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.116934 (E_RNA)
where:
Base-Base interactions energy: -120.703
where: short stacking energy: -75.487
Base-Backbone interact. energy: -0.001
local terms energy: -83.412832
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -21.899
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: 353
Temperature: 1.000000
Total energy: -177.767035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.767035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.767035 (E_RNA)
where:
Base-Base interactions energy: -105.902
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.002
local terms energy: -71.863279
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -173.485184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.485184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.485184 (E_RNA)
where:
Base-Base interactions energy: -96.403
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.003
local terms energy: -77.079388
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -194.776424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.776424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.776424 (E_RNA)
where:
Base-Base interactions energy: -126.142
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.116
local terms energy: -68.518507
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -168.139204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.139204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.139204 (E_RNA)
where:
Base-Base interactions energy: -98.161
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.379
local terms energy: -69.599260
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -141.096771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.096771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.096771 (E_RNA)
where:
Base-Base interactions energy: -80.153
where: short stacking energy: -41.860
Base-Backbone interact. energy: 0.410
local terms energy: -61.353837
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.399976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.399976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.399976 (E_RNA)
where:
Base-Base interactions energy: -25.360
where: short stacking energy: -25.360
Base-Backbone interact. energy: 0.012
local terms energy: -67.052169
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -81.821285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.821285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.821285 (E_RNA)
where:
Base-Base interactions energy: -33.134
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.020
local terms energy: -48.667696
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -78.455884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.455884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.455884 (E_RNA)
where:
Base-Base interactions energy: -27.586
where: short stacking energy: -20.397
Base-Backbone interact. energy: -0.107
local terms energy: -50.762136
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -224.920897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.920897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.920897 (E_RNA)
where:
Base-Base interactions energy: -142.714
where: short stacking energy: -80.235
Base-Backbone interact. energy: -0.035
local terms energy: -82.171349
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -192.057077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.057077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.057077 (E_RNA)
where:
Base-Base interactions energy: -115.422
where: short stacking energy: -65.589
Base-Backbone interact. energy: 0.439
local terms energy: -77.073927
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -186.761152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.761152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.761152 (E_RNA)
where:
Base-Base interactions energy: -116.509
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.003
local terms energy: -70.249270
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -173.482366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.482366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.482366 (E_RNA)
where:
Base-Base interactions energy: -104.987
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.013
local terms energy: -68.482297
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -202.198456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198456 (E_RNA)
where:
Base-Base interactions energy: -127.617
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.004
local terms energy: -74.577498
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -145.058464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.058464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.058464 (E_RNA)
where:
Base-Base interactions energy: -87.421
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.358
local terms energy: -57.279559
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -153.498025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.498025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.498025 (E_RNA)
where:
Base-Base interactions energy: -87.669
where: short stacking energy: -42.656
Base-Backbone interact. energy: -1.025
local terms energy: -64.803295
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.084
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: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -88.941200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941200 (E_RNA)
where:
Base-Base interactions energy: -34.542
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.065
local terms energy: -54.334049
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -75.932576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.932576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.932576 (E_RNA)
where:
Base-Base interactions energy: -34.267
where: short stacking energy: -22.786
Base-Backbone interact. energy: 0.366
local terms energy: -42.031698
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -6.912
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -75.038183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.038183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.038183 (E_RNA)
where:
Base-Base interactions energy: -29.424
where: short stacking energy: -28.080
Base-Backbone interact. energy: -0.446
local terms energy: -45.168117
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -8.425
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: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -221.976566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.976566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.976566 (E_RNA)
where:
Base-Base interactions energy: -137.297
where: short stacking energy: -77.240
Base-Backbone interact. energy: -0.074
local terms energy: -84.605942
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -191.902519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.902519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.902519 (E_RNA)
where:
Base-Base interactions energy: -117.433
where: short stacking energy: -68.948
Base-Backbone interact. energy: -1.254
local terms energy: -73.215755
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -175.352451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.352451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.352451 (E_RNA)
where:
Base-Base interactions energy: -106.224
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.144
local terms energy: -68.983992
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -204.739424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.739424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.739424 (E_RNA)
where:
Base-Base interactions energy: -131.255
where: short stacking energy: -78.363
Base-Backbone interact. energy: -0.041
local terms energy: -73.443078
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -168.050079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.050079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.050079 (E_RNA)
where:
Base-Base interactions energy: -103.435
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.031
local terms energy: -64.584152
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -160.640175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.640175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.640175 (E_RNA)
where:
Base-Base interactions energy: -92.555
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.517
local terms energy: -67.567969
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -139.533280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.533280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.533280 (E_RNA)
where:
Base-Base interactions energy: -76.712
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.353
local terms energy: -62.468321
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -12.514
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: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -103.611148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.611148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.611148 (E_RNA)
where:
Base-Base interactions energy: -50.549
where: short stacking energy: -30.717
Base-Backbone interact. energy: 1.916
local terms energy: -54.977824
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -10.971
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: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -80.955181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955181 (E_RNA)
where:
Base-Base interactions energy: -23.241
where: short stacking energy: -23.241
Base-Backbone interact. energy: -0.069
local terms energy: -57.645738
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -0.557
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: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -86.009217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.009217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.009217 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.246
local terms energy: -51.761034
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -6.099
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: 356
Temperature: 0.900000
Total energy: -212.502527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502527 (E_RNA)
where:
Base-Base interactions energy: -131.798
where: short stacking energy: -77.166
Base-Backbone interact. energy: -0.004
local terms energy: -80.699927
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -23.922
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: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -178.881617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.881617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.881617 (E_RNA)
where:
Base-Base interactions energy: -108.339
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.213
local terms energy: -70.329669
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -209.950947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.950947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.950947 (E_RNA)
where:
Base-Base interactions energy: -131.567
where: short stacking energy: -76.212
Base-Backbone interact. energy: -0.496
local terms energy: -77.887770
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -21.184
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: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -167.515972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.515972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.515972 (E_RNA)
where:
Base-Base interactions energy: -104.163
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.227
local terms energy: -63.125370
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -165.553363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.553363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.553363 (E_RNA)
where:
Base-Base interactions energy: -95.043
where: short stacking energy: -54.625
Base-Backbone interact. energy: 1.337
local terms energy: -71.847263
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.946
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: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -154.582319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.582319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.582319 (E_RNA)
where:
Base-Base interactions energy: -89.804
where: short stacking energy: -47.503
Base-Backbone interact. energy: -0.304
local terms energy: -64.474094
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -10.010
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: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -130.644333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.644333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.644333 (E_RNA)
where:
Base-Base interactions energy: -75.464
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.053
local terms energy: -55.127470
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -96.517163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.517163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.517163 (E_RNA)
where:
Base-Base interactions energy: -47.202
where: short stacking energy: -34.545
Base-Backbone interact. energy: 1.305
local terms energy: -50.619724
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -86.455336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.455336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.455336 (E_RNA)
where:
Base-Base interactions energy: -27.947
where: short stacking energy: -27.947
Base-Backbone interact. energy: -0.015
local terms energy: -58.492607
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.314
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: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -78.500755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.500755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.500755 (E_RNA)
where:
Base-Base interactions energy: -22.257
where: short stacking energy: -22.257
Base-Backbone interact. energy: -0.106
local terms energy: -56.138052
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -203.243152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.243152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243152 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.047
local terms energy: -75.957974
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -216.390997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.390997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390997 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -76.372
Base-Backbone interact. energy: -0.010
local terms energy: -76.175490
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -195.399753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.399753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.399753 (E_RNA)
where:
Base-Base interactions energy: -117.879
where: short stacking energy: -69.671
Base-Backbone interact. energy: -0.072
local terms energy: -77.448342
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -182.661008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.661008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.661008 (E_RNA)
where:
Base-Base interactions energy: -106.152
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.020
local terms energy: -76.489205
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -168.819783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.819783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.819783 (E_RNA)
where:
Base-Base interactions energy: -104.136
where: short stacking energy: -54.446
Base-Backbone interact. energy: -0.158
local terms energy: -64.525508
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -156.025348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025348 (E_RNA)
where:
Base-Base interactions energy: -95.659
where: short stacking energy: -49.597
Base-Backbone interact. energy: -0.033
local terms energy: -60.333484
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -148.196423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.196423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.196423 (E_RNA)
where:
Base-Base interactions energy: -83.233
where: short stacking energy: -46.039
Base-Backbone interact. energy: -0.274
local terms energy: -64.690168
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -81.642836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.642836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.642836 (E_RNA)
where:
Base-Base interactions energy: -23.256
where: short stacking energy: -19.952
Base-Backbone interact. energy: 0.501
local terms energy: -58.887789
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -14.176
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -92.864985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.864985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.864985 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -36.421
Base-Backbone interact. energy: 0.075
local terms energy: -56.003435
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -92.405644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.405644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.405644 (E_RNA)
where:
Base-Base interactions energy: -39.671
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.198
local terms energy: -52.536447
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -211.583823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.583823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.583823 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -66.404
Base-Backbone interact. energy: -0.101
local terms energy: -83.508612
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -207.292878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.292878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.292878 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -76.691
Base-Backbone interact. energy: -0.001
local terms energy: -76.648012
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -19.767
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: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -171.381211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.381211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.381211 (E_RNA)
where:
Base-Base interactions energy: -95.252
where: short stacking energy: -50.208
Base-Backbone interact. energy: -0.005
local terms energy: -76.123412
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -12.927
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -178.140442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.140442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.140442 (E_RNA)
where:
Base-Base interactions energy: -105.867
where: short stacking energy: -59.597
Base-Backbone interact. energy: -0.006
local terms energy: -72.268138
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.574
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: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -172.341005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.341005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.341005 (E_RNA)
where:
Base-Base interactions energy: -98.280
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.005
local terms energy: -74.055403
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -169.523575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.523575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.523575 (E_RNA)
where:
Base-Base interactions energy: -97.364
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.075
local terms energy: -72.085274
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -99.850717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.850717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.850717 (E_RNA)
where:
Base-Base interactions energy: -43.748
where: short stacking energy: -38.672
Base-Backbone interact. energy: -0.005
local terms energy: -56.098219
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -11.325
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: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -127.294923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.294923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.294923 (E_RNA)
where:
Base-Base interactions energy: -77.784
where: short stacking energy: -39.227
Base-Backbone interact. energy: -0.372
local terms energy: -49.139244
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -95.720844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.720844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.720844 (E_RNA)
where:
Base-Base interactions energy: -41.617
where: short stacking energy: -31.090
Base-Backbone interact. energy: 2.527
local terms energy: -56.630474
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.533700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.533700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.533700 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.550
local terms energy: -46.206960
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: 2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -208.762569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.762569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.762569 (E_RNA)
where:
Base-Base interactions energy: -143.743
where: short stacking energy: -64.375
Base-Backbone interact. energy: -0.085
local terms energy: -64.934871
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -215.801214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.801214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.801214 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -80.355
Base-Backbone interact. energy: -0.017
local terms energy: -79.097610
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -24.116
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: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -167.099188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.099188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.099188 (E_RNA)
where:
Base-Base interactions energy: -95.718
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.335
local terms energy: -71.045927
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -170.861114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.861114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.861114 (E_RNA)
where:
Base-Base interactions energy: -99.872
where: short stacking energy: -55.872
Base-Backbone interact. energy: -0.088
local terms energy: -70.900827
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -166.546173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.546173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.546173 (E_RNA)
where:
Base-Base interactions energy: -100.579
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.929
local terms energy: -65.038150
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -172.419310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.419310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.419310 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.015
local terms energy: -65.042045
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -106.447647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.447647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.447647 (E_RNA)
where:
Base-Base interactions energy: -48.228
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.854
local terms energy: -57.365392
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -0.593
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: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -162.083662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.083662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.083662 (E_RNA)
where:
Base-Base interactions energy: -93.577
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.685
local terms energy: -67.822380
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -95.096717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.096717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.096717 (E_RNA)
where:
Base-Base interactions energy: -40.814
where: short stacking energy: -30.847
Base-Backbone interact. energy: 0.240
local terms energy: -54.523238
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -79.792228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792228 (E_RNA)
where:
Base-Base interactions energy: -21.823
where: short stacking energy: -22.023
Base-Backbone interact. energy: -1.108
local terms energy: -56.861765
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -1.618
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: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -215.355506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.355506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.355506 (E_RNA)
where:
Base-Base interactions energy: -133.800
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.005
local terms energy: -81.550788
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -22.596
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: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -195.424085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.424085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.424085 (E_RNA)
where:
Base-Base interactions energy: -124.717
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.153
local terms energy: -70.553899
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -194.459988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.459988 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.013
local terms energy: -75.178683
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -160.478575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.478575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.478575 (E_RNA)
where:
Base-Base interactions energy: -95.331
where: short stacking energy: -51.004
Base-Backbone interact. energy: 0.234
local terms energy: -65.382125
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -171.918181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.918181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.918181 (E_RNA)
where:
Base-Base interactions energy: -100.945
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.113
local terms energy: -70.860041
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -147.371355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.371355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.371355 (E_RNA)
where:
Base-Base interactions energy: -80.965
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.104
local terms energy: -66.302897
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -125.423754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.423754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.423754 (E_RNA)
where:
Base-Base interactions energy: -70.333
where: short stacking energy: -39.199
Base-Backbone interact. energy: -0.357
local terms energy: -54.733989
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -91.118758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.118758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.118758 (E_RNA)
where:
Base-Base interactions energy: -44.218
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.153
local terms energy: -46.747136
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -9.336
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: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -109.552645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.552645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.552645 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -43.881
Base-Backbone interact. energy: -0.175
local terms energy: -65.496372
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -8.602
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: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -78.504301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.504301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.504301 (E_RNA)
where:
Base-Base interactions energy: -24.399
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.330
local terms energy: -53.776022
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.250
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: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -211.969986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.969986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.969986 (E_RNA)
where:
Base-Base interactions energy: -129.624
where: short stacking energy: -72.121
Base-Backbone interact. energy: -0.010
local terms energy: -82.335867
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -206.215308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.215308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.215308 (E_RNA)
where:
Base-Base interactions energy: -127.015
where: short stacking energy: -71.799
Base-Backbone interact. energy: -0.191
local terms energy: -79.009035
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -188.835533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.835533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.835533 (E_RNA)
where:
Base-Base interactions energy: -115.453
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.112
local terms energy: -73.270984
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -14.331
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: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -188.898995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.898995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.898995 (E_RNA)
where:
Base-Base interactions energy: -113.160
where: short stacking energy: -71.313
Base-Backbone interact. energy: -0.009
local terms energy: -75.730273
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -154.677990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.677990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.677990 (E_RNA)
where:
Base-Base interactions energy: -88.935
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.286
local terms energy: -65.456696
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -7.862
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: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -155.368911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.368911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.368911 (E_RNA)
where:
Base-Base interactions energy: -88.674
where: short stacking energy: -48.147
Base-Backbone interact. energy: -0.307
local terms energy: -66.388155
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -103.353560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.353560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.353560 (E_RNA)
where:
Base-Base interactions energy: -44.306
where: short stacking energy: -44.306
Base-Backbone interact. energy: -0.002
local terms energy: -59.045092
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -10.326
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: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -84.917164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.917164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.917164 (E_RNA)
where:
Base-Base interactions energy: -30.924
where: short stacking energy: -30.924
Base-Backbone interact. energy: -0.223
local terms energy: -53.770481
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -97.550930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.550930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.550930 (E_RNA)
where:
Base-Base interactions energy: -42.948
where: short stacking energy: -27.384
Base-Backbone interact. energy: -1.115
local terms energy: -53.488364
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -84.687471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687471 (E_RNA)
where:
Base-Base interactions energy: -29.137
where: short stacking energy: -29.137
Base-Backbone interact. energy: -0.011
local terms energy: -55.539151
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -11.569
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -213.701780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.701780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.701780 (E_RNA)
where:
Base-Base interactions energy: -135.613
where: short stacking energy: -80.217
Base-Backbone interact. energy: -0.002
local terms energy: -78.086782
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -205.472925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472925 (E_RNA)
where:
Base-Base interactions energy: -127.848
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.013
local terms energy: -77.611485
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -176.585884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.585884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.585884 (E_RNA)
where:
Base-Base interactions energy: -104.435
where: short stacking energy: -63.530
Base-Backbone interact. energy: 0.483
local terms energy: -72.633941
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -187.701819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.701819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.701819 (E_RNA)
where:
Base-Base interactions energy: -116.689
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.132
local terms energy: -70.880193
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -165.306465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.306465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.306465 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -55.852
Base-Backbone interact. energy: -0.045
local terms energy: -69.695034
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -156.323456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.323456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.323456 (E_RNA)
where:
Base-Base interactions energy: -92.167
where: short stacking energy: -40.018
Base-Backbone interact. energy: -0.929
local terms energy: -63.227213
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -95.688750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688750 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.445
local terms energy: -50.119546
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -4.065
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: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -93.975544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.975544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.975544 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -42.366
Base-Backbone interact. energy: -0.179
local terms energy: -51.345649
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -86.433006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433006 (E_RNA)
where:
Base-Base interactions energy: -32.100
where: short stacking energy: -27.160
Base-Backbone interact. energy: -0.123
local terms energy: -54.210157
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -82.184018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184018 (E_RNA)
where:
Base-Base interactions energy: -31.733
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.180
local terms energy: -50.270278
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -204.313998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.313998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.313998 (E_RNA)
where:
Base-Base interactions energy: -123.347
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.003
local terms energy: -80.963638
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -21.058
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: 363
Temperature: 0.950000
Total energy: -212.472925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.472925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.472925 (E_RNA)
where:
Base-Base interactions energy: -129.917
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.002
local terms energy: -82.554114
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -179.992406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992406 (E_RNA)
where:
Base-Base interactions energy: -106.644
where: short stacking energy: -68.311
Base-Backbone interact. energy: 4.029
local terms energy: -77.377390
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -180.924438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.924438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.924438 (E_RNA)
where:
Base-Base interactions energy: -106.571
where: short stacking energy: -63.040
Base-Backbone interact. energy: -0.109
local terms energy: -74.244088
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -155.937378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.937378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.937378 (E_RNA)
where:
Base-Base interactions energy: -93.832
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.341
local terms energy: -61.764622
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -13.608
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -149.322982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.322982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.322982 (E_RNA)
where:
Base-Base interactions energy: -80.887
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.235
local terms energy: -68.200821
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -12.566
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: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -109.653679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.653679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.653679 (E_RNA)
where:
Base-Base interactions energy: -48.324
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.010
local terms energy: -61.319977
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -88.779347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779347 (E_RNA)
where:
Base-Base interactions energy: -30.874
where: short stacking energy: -30.874
Base-Backbone interact. energy: 0.461
local terms energy: -58.366880
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.391
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: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -89.735804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.735804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.735804 (E_RNA)
where:
Base-Base interactions energy: -41.097
where: short stacking energy: -40.735
Base-Backbone interact. energy: -0.684
local terms energy: -47.954368
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -86.585830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.585830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.585830 (E_RNA)
where:
Base-Base interactions energy: -40.467
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.171
local terms energy: -45.947741
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -5.831
flat angles P-C4'-P energy: -6.542
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: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -207.696962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.696962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.696962 (E_RNA)
where:
Base-Base interactions energy: -137.192
where: short stacking energy: -76.601
Base-Backbone interact. energy: -0.074
local terms energy: -70.431212
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -206.688877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.688877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.688877 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -66.786
Base-Backbone interact. energy: 0.162
local terms energy: -79.782560
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -197.547997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.547997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.547997 (E_RNA)
where:
Base-Base interactions energy: -118.045
where: short stacking energy: -76.793
Base-Backbone interact. energy: -0.037
local terms energy: -79.466332
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -22.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -175.733979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.733979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.733979 (E_RNA)
where:
Base-Base interactions energy: -102.421
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.093
local terms energy: -73.219993
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -132.076917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.076917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.076917 (E_RNA)
where:
Base-Base interactions energy: -74.207
where: short stacking energy: -41.594
Base-Backbone interact. energy: -0.042
local terms energy: -57.828407
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -168.135821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.135821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.135821 (E_RNA)
where:
Base-Base interactions energy: -104.885
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.012
local terms energy: -63.237842
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -117.012612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.012612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.012612 (E_RNA)
where:
Base-Base interactions energy: -64.651
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.073
local terms energy: -52.288113
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -7.927
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -96.539262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.539262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.539262 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.040
local terms energy: -56.759839
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -92.500236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.500236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.500236 (E_RNA)
where:
Base-Base interactions energy: -39.792
where: short stacking energy: -28.752
Base-Backbone interact. energy: 2.116
local terms energy: -54.823748
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -71.635204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.635204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.635204 (E_RNA)
where:
Base-Base interactions energy: -25.763
where: short stacking energy: -25.473
Base-Backbone interact. energy: -0.208
local terms energy: -45.665174
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: 0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -222.553158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.553158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.553158 (E_RNA)
where:
Base-Base interactions energy: -138.072
where: short stacking energy: -84.491
Base-Backbone interact. energy: -0.008
local terms energy: -84.473100
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -209.460849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.460849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.460849 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -71.042
Base-Backbone interact. energy: -0.170
local terms energy: -78.029406
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -182.204369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.204369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.204369 (E_RNA)
where:
Base-Base interactions energy: -110.070
where: short stacking energy: -65.733
Base-Backbone interact. energy: 3.790
local terms energy: -75.924378
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -177.232379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.232379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.232379 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.131
local terms energy: -70.960088
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -161.649852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.649852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.649852 (E_RNA)
where:
Base-Base interactions energy: -94.607
where: short stacking energy: -51.688
Base-Backbone interact. energy: -0.202
local terms energy: -66.840136
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -13.797
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: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -145.665679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.665679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.665679 (E_RNA)
where:
Base-Base interactions energy: -81.068
where: short stacking energy: -44.890
Base-Backbone interact. energy: -0.111
local terms energy: -64.487199
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -12.209
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: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -162.584945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.584945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.584945 (E_RNA)
where:
Base-Base interactions energy: -90.731
where: short stacking energy: -39.813
Base-Backbone interact. energy: -0.040
local terms energy: -71.813355
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -94.331985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.331985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.331985 (E_RNA)
where:
Base-Base interactions energy: -34.521
where: short stacking energy: -28.815
Base-Backbone interact. energy: -0.096
local terms energy: -59.714900
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -94.035760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.035760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.035760 (E_RNA)
where:
Base-Base interactions energy: -48.457
where: short stacking energy: -39.107
Base-Backbone interact. energy: 0.592
local terms energy: -46.171310
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -1.244
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -92.676619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.676619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.676619 (E_RNA)
where:
Base-Base interactions energy: -33.321
where: short stacking energy: -33.321
Base-Backbone interact. energy: -0.037
local terms energy: -59.318454
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -10.216
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: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -218.220440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.220440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.220440 (E_RNA)
where:
Base-Base interactions energy: -137.919
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.037
local terms energy: -80.264243
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -214.166078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.166078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.166078 (E_RNA)
where:
Base-Base interactions energy: -138.965
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.012
local terms energy: -75.188916
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -187.729617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.729617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.729617 (E_RNA)
where:
Base-Base interactions energy: -114.452
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.019
local terms energy: -73.258024
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -171.663241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663241 (E_RNA)
where:
Base-Base interactions energy: -101.030
where: short stacking energy: -53.232
Base-Backbone interact. energy: -0.302
local terms energy: -70.331403
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -179.341035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.341035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.341035 (E_RNA)
where:
Base-Base interactions energy: -107.310
where: short stacking energy: -66.830
Base-Backbone interact. energy: -0.005
local terms energy: -72.025342
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -15.198
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: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -150.364300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.364300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.364300 (E_RNA)
where:
Base-Base interactions energy: -81.377
where: short stacking energy: -51.424
Base-Backbone interact. energy: -0.112
local terms energy: -68.875039
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -14.326
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: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -148.151385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.151385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.151385 (E_RNA)
where:
Base-Base interactions energy: -83.641
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.032
local terms energy: -64.478104
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -13.400
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: 366
Temperature: 1.250000
Total energy: -87.562030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.562030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.562030 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -31.653
Base-Backbone interact. energy: 0.139
local terms energy: -51.771671
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -6.371
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: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -96.926863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.926863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.926863 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -25.147
Base-Backbone interact. energy: -0.056
local terms energy: -53.058560
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -8.624
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: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -72.497381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.497381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.497381 (E_RNA)
where:
Base-Base interactions energy: -24.195
where: short stacking energy: -22.023
Base-Backbone interact. energy: -0.242
local terms energy: -48.060434
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: 0.470
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: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -215.054588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054588 (E_RNA)
where:
Base-Base interactions energy: -131.159
where: short stacking energy: -75.924
Base-Backbone interact. energy: -0.004
local terms energy: -83.890750
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -178.139157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.139157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.139157 (E_RNA)
where:
Base-Base interactions energy: -105.502
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.081
local terms energy: -72.556748
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -201.948266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.948266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.948266 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.001
local terms energy: -86.837932
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -23.759
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: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -170.044905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.044905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.044905 (E_RNA)
where:
Base-Base interactions energy: -102.177
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.022
local terms energy: -67.846453
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -164.734429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.734429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.734429 (E_RNA)
where:
Base-Base interactions energy: -108.304
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.016
local terms energy: -56.414189
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -151.854747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.854747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.854747 (E_RNA)
where:
Base-Base interactions energy: -87.345
where: short stacking energy: -50.384
Base-Backbone interact. energy: -0.368
local terms energy: -64.141849
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -9.500
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: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -153.032312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.032312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.032312 (E_RNA)
where:
Base-Base interactions energy: -83.931
where: short stacking energy: -46.962
Base-Backbone interact. energy: -0.119
local terms energy: -68.982584
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -90.761613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.761613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.761613 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -34.019
Base-Backbone interact. energy: -1.050
local terms energy: -55.364523
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -13.273
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: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -88.270739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.270739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.270739 (E_RNA)
where:
Base-Base interactions energy: -34.380
where: short stacking energy: -25.992
Base-Backbone interact. energy: 0.615
local terms energy: -54.505615
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -82.313544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.313544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.313544 (E_RNA)
where:
Base-Base interactions energy: -32.904
where: short stacking energy: -32.904
Base-Backbone interact. energy: -0.375
local terms energy: -49.034266
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -1.776
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: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -214.481032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.481032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.481032 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -76.708
Base-Backbone interact. energy: -0.239
local terms energy: -77.915549
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -187.104738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.104738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.104738 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -69.568
Base-Backbone interact. energy: -0.141
local terms energy: -74.132735
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -214.551713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.551713 (E_RNA)
where:
Base-Base interactions energy: -131.381
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.500
local terms energy: -82.671228
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -164.087535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.087535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.087535 (E_RNA)
where:
Base-Base interactions energy: -100.204
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.134
local terms energy: -63.749602
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -11.830
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: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -168.249333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.249333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.249333 (E_RNA)
where:
Base-Base interactions energy: -95.619
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.101
local terms energy: -72.529309
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -144.747600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.747600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.747600 (E_RNA)
where:
Base-Base interactions energy: -80.208
where: short stacking energy: -48.138
Base-Backbone interact. energy: -0.070
local terms energy: -64.470010
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -140.012172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.012172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.012172 (E_RNA)
where:
Base-Base interactions energy: -84.553
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.079
local terms energy: -55.380237
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -99.040730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.040730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.040730 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -31.958
Base-Backbone interact. energy: 0.441
local terms energy: -56.113509
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -99.817296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.817296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.817296 (E_RNA)
where:
Base-Base interactions energy: -54.767
where: short stacking energy: -28.115
Base-Backbone interact. energy: -0.575
local terms energy: -44.474628
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -6.377
flat angles P-C4'-P energy: -8.171
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: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -82.576290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576290 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.072
local terms energy: -50.382973
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -5.526
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: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -216.977756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.977756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.977756 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -83.565
Base-Backbone interact. energy: -0.000
local terms energy: -80.599665
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -211.118146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.118146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.118146 (E_RNA)
where:
Base-Base interactions energy: -131.069
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.001
local terms energy: -80.047837
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -178.677462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.677462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.677462 (E_RNA)
where:
Base-Base interactions energy: -111.055
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.112
local terms energy: -67.510422
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -178.119403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.119403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.119403 (E_RNA)
where:
Base-Base interactions energy: -107.825
where: short stacking energy: -60.941
Base-Backbone interact. energy: 0.639
local terms energy: -70.933476
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -165.332785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.332785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.332785 (E_RNA)
where:
Base-Base interactions energy: -102.124
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.229
local terms energy: -62.979811
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -12.634
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: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -139.397444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.397444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.397444 (E_RNA)
where:
Base-Base interactions energy: -74.622
where: short stacking energy: -46.327
Base-Backbone interact. energy: -1.233
local terms energy: -63.541755
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -134.911168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.911168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.911168 (E_RNA)
where:
Base-Base interactions energy: -76.165
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.099
local terms energy: -58.647073
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -5.331
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: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -93.849633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.849633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.849633 (E_RNA)
where:
Base-Base interactions energy: -40.954
where: short stacking energy: -36.230
Base-Backbone interact. energy: -0.320
local terms energy: -52.574890
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -7.763
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: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -85.119601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.119601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.119601 (E_RNA)
where:
Base-Base interactions energy: -45.581
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.636
local terms energy: -38.902101
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -78.805613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.805613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.805613 (E_RNA)
where:
Base-Base interactions energy: -26.726
where: short stacking energy: -26.726
Base-Backbone interact. energy: -0.121
local terms energy: -51.958626
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -211.596841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.596841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.596841 (E_RNA)
where:
Base-Base interactions energy: -129.200
where: short stacking energy: -72.922
Base-Backbone interact. energy: -0.072
local terms energy: -82.325237
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -205.731493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.731493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.731493 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.003
local terms energy: -81.364613
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -19.685
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: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -184.500045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.500045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.500045 (E_RNA)
where:
Base-Base interactions energy: -114.659
where: short stacking energy: -63.460
Base-Backbone interact. energy: 1.264
local terms energy: -71.104659
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -15.372
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: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -164.055931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.055931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.055931 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.187
local terms energy: -61.584650
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -11.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -154.811753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.811753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.811753 (E_RNA)
where:
Base-Base interactions energy: -96.762
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.155
local terms energy: -57.894910
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -160.711602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.711602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.711602 (E_RNA)
where:
Base-Base interactions energy: -94.983
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.002
local terms energy: -65.727399
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -103.289986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.289986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.289986 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.099
local terms energy: -66.344559
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -6.888
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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -94.127218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.127218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.127218 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.007
local terms energy: -60.812079
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -86.258134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.258134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.258134 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.095
local terms energy: -54.350060
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -84.723071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.723071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.723071 (E_RNA)
where:
Base-Base interactions energy: -30.851
where: short stacking energy: -29.868
Base-Backbone interact. energy: 0.033
local terms energy: -53.904923
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -216.903354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.903354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.903354 (E_RNA)
where:
Base-Base interactions energy: -136.471
where: short stacking energy: -77.950
Base-Backbone interact. energy: -0.033
local terms energy: -80.398969
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -214.408535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.408535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.408535 (E_RNA)
where:
Base-Base interactions energy: -135.465
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.117
local terms energy: -78.826609
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -182.306043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.306043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.306043 (E_RNA)
where:
Base-Base interactions energy: -113.629
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.147
local terms energy: -68.529733
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -168.311074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.311074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.311074 (E_RNA)
where:
Base-Base interactions energy: -98.908
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.049
local terms energy: -69.354621
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -171.078271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.078271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.078271 (E_RNA)
where:
Base-Base interactions energy: -97.886
where: short stacking energy: -51.407
Base-Backbone interact. energy: -0.032
local terms energy: -73.159707
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -140.399518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.399518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.399518 (E_RNA)
where:
Base-Base interactions energy: -82.356
where: short stacking energy: -42.965
Base-Backbone interact. energy: -0.191
local terms energy: -57.852176
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -163.028833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.028833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.028833 (E_RNA)
where:
Base-Base interactions energy: -93.591
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.024
local terms energy: -69.413076
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -109.073286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.073286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.073286 (E_RNA)
where:
Base-Base interactions energy: -45.855
where: short stacking energy: -36.250
Base-Backbone interact. energy: -0.002
local terms energy: -63.216434
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -85.591163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.591163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.591163 (E_RNA)
where:
Base-Base interactions energy: -31.478
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.080
local terms energy: -54.033859
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -100.016860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.016860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.016860 (E_RNA)
where:
Base-Base interactions energy: -42.623
where: short stacking energy: -32.825
Base-Backbone interact. energy: -0.366
local terms energy: -57.027268
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -224.848117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.848117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.848117 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -77.360
Base-Backbone interact. energy: -0.029
local terms energy: -87.317559
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -189.552094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552094 (E_RNA)
where:
Base-Base interactions energy: -118.769
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.068
local terms energy: -70.715127
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -14.260
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: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -187.649927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.649927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.649927 (E_RNA)
where:
Base-Base interactions energy: -118.302
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.012
local terms energy: -69.336145
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -176.070396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.070396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.070396 (E_RNA)
where:
Base-Base interactions energy: -103.659
where: short stacking energy: -61.622
Base-Backbone interact. energy: -0.048
local terms energy: -72.364200
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -128.142972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.142972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.142972 (E_RNA)
where:
Base-Base interactions energy: -69.558
where: short stacking energy: -45.576
Base-Backbone interact. energy: -0.141
local terms energy: -58.444078
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -158.054874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.054874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.054874 (E_RNA)
where:
Base-Base interactions energy: -92.822
where: short stacking energy: -45.925
Base-Backbone interact. energy: -0.121
local terms energy: -65.112604
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -11.694
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: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -157.216089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.216089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.216089 (E_RNA)
where:
Base-Base interactions energy: -91.635
where: short stacking energy: -47.197
Base-Backbone interact. energy: 0.380
local terms energy: -65.960903
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.592
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: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -99.296044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.296044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.296044 (E_RNA)
where:
Base-Base interactions energy: -47.566
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.003
local terms energy: -51.727033
where:
bonds (distance) C4'-P energy: -7.278
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -85.290926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.290926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.290926 (E_RNA)
where:
Base-Base interactions energy: -31.020
where: short stacking energy: -28.190
Base-Backbone interact. energy: -0.343
local terms energy: -53.927941
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -79.948973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.948973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.948973 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -18.286
Base-Backbone interact. energy: -0.448
local terms energy: -46.227010
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -214.286030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286030 (E_RNA)
where:
Base-Base interactions energy: -129.345
where: short stacking energy: -73.534
Base-Backbone interact. energy: -0.014
local terms energy: -84.926299
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -181.076998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.076998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.076998 (E_RNA)
where:
Base-Base interactions energy: -111.071
where: short stacking energy: -64.077
Base-Backbone interact. energy: -0.308
local terms energy: -69.698298
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -206.887572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.887572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.887572 (E_RNA)
where:
Base-Base interactions energy: -123.662
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.015
local terms energy: -83.209988
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -24.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -164.860641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.860641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.860641 (E_RNA)
where:
Base-Base interactions energy: -94.736
where: short stacking energy: -61.570
Base-Backbone interact. energy: 1.312
local terms energy: -71.435698
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -138.675292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.675292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.675292 (E_RNA)
where:
Base-Base interactions energy: -78.344
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.045
local terms energy: -60.286342
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -11.226
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -159.503296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.503296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.503296 (E_RNA)
where:
Base-Base interactions energy: -90.444
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.046
local terms energy: -69.013464
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -13.021
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: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -148.162445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.162445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.162445 (E_RNA)
where:
Base-Base interactions energy: -85.965
where: short stacking energy: -51.126
Base-Backbone interact. energy: 0.115
local terms energy: -62.312659
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -9.978
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: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -94.982229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982229 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -16.801
Base-Backbone interact. energy: -0.689
local terms energy: -56.121062
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -86.308604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.308604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.308604 (E_RNA)
where:
Base-Base interactions energy: -32.576
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.124
local terms energy: -53.608710
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -2.060
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: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -78.668504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.668504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.668504 (E_RNA)
where:
Base-Base interactions energy: -26.383
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.749
local terms energy: -51.536444
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -220.885581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.885581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.885581 (E_RNA)
where:
Base-Base interactions energy: -137.564
where: short stacking energy: -79.679
Base-Backbone interact. energy: -0.005
local terms energy: -83.316913
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -189.900176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.900176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.900176 (E_RNA)
where:
Base-Base interactions energy: -114.119
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.042
local terms energy: -75.739925
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -210.309738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.309738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.309738 (E_RNA)
where:
Base-Base interactions energy: -127.268
where: short stacking energy: -76.090
Base-Backbone interact. energy: -0.012
local terms energy: -83.029465
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -21.919
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: 374
Temperature: 1.050000
Total energy: -172.260437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.260437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.260437 (E_RNA)
where:
Base-Base interactions energy: -101.151
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.080
local terms energy: -71.029068
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -14.095
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: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -157.822813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.822813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.822813 (E_RNA)
where:
Base-Base interactions energy: -91.779
where: short stacking energy: -50.891
Base-Backbone interact. energy: -0.066
local terms energy: -65.977384
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -141.593815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.593815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.593815 (E_RNA)
where:
Base-Base interactions energy: -77.123
where: short stacking energy: -44.830
Base-Backbone interact. energy: -0.044
local terms energy: -64.426665
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.655
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: 374
Temperature: 1.200000
Total energy: -158.974254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.974254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.974254 (E_RNA)
where:
Base-Base interactions energy: -92.270
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.076
local terms energy: -66.628030
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -102.778167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.778167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.778167 (E_RNA)
where:
Base-Base interactions energy: -37.246
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.069
local terms energy: -65.462970
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.443
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: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -82.123620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.123620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.123620 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -25.656
Base-Backbone interact. energy: -0.443
local terms energy: -45.721421
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -79.384515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384515 (E_RNA)
where:
Base-Base interactions energy: -31.856
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.150
local terms energy: -47.377831
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -228.500099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.500099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.500099 (E_RNA)
where:
Base-Base interactions energy: -146.655
where: short stacking energy: -84.184
Base-Backbone interact. energy: -0.002
local terms energy: -81.842809
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -211.740732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.740732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.740732 (E_RNA)
where:
Base-Base interactions energy: -135.652
where: short stacking energy: -81.128
Base-Backbone interact. energy: -0.075
local terms energy: -76.013849
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -183.082575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.082575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.082575 (E_RNA)
where:
Base-Base interactions energy: -111.727
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.051
local terms energy: -71.304700
where:
bonds (distance) C4'-P energy: -8.505
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -176.794432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.794432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.794432 (E_RNA)
where:
Base-Base interactions energy: -103.285
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.032
local terms energy: -73.476920
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -167.485309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.485309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.485309 (E_RNA)
where:
Base-Base interactions energy: -91.780
where: short stacking energy: -58.953
Base-Backbone interact. energy: -1.277
local terms energy: -74.428645
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -17.552
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: 375
Temperature: 1.150000
Total energy: -138.498758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.498758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.498758 (E_RNA)
where:
Base-Base interactions energy: -70.054
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.157
local terms energy: -68.287804
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -12.568
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: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -146.450074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.450074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.450074 (E_RNA)
where:
Base-Base interactions energy: -86.174
where: short stacking energy: -46.579
Base-Backbone interact. energy: -0.067
local terms energy: -60.209582
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -90.644129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644129 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -37.430
Base-Backbone interact. energy: 0.370
local terms energy: -52.452287
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -82.533257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.533257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.533257 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -28.254
Base-Backbone interact. energy: -0.292
local terms energy: -49.842978
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -4.233
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: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -124.295748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.295748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.295748 (E_RNA)
where:
Base-Base interactions energy: -75.731
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.066
local terms energy: -48.498514
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -207.725852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.725852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.725852 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -78.298
Base-Backbone interact. energy: -0.169
local terms energy: -77.951440
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -218.410256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.410256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.410256 (E_RNA)
where:
Base-Base interactions energy: -132.807
where: short stacking energy: -80.979
Base-Backbone interact. energy: -0.006
local terms energy: -85.597218
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -180.383276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.383276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.383276 (E_RNA)
where:
Base-Base interactions energy: -107.110
where: short stacking energy: -66.851
Base-Backbone interact. energy: 0.051
local terms energy: -73.324511
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -19.746
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -179.476626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.476626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.476626 (E_RNA)
where:
Base-Base interactions energy: -106.286
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.014
local terms energy: -73.176279
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -16.851
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: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -166.187034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.187034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.187034 (E_RNA)
where:
Base-Base interactions energy: -93.807
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.057
local terms energy: -72.322922
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -164.722655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.722655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.722655 (E_RNA)
where:
Base-Base interactions energy: -93.065
where: short stacking energy: -53.907
Base-Backbone interact. energy: -0.222
local terms energy: -71.435806
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -12.949
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -112.486926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.486926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.486926 (E_RNA)
where:
Base-Base interactions energy: -45.889
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.218
local terms energy: -66.379740
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -128.229062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.229062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.229062 (E_RNA)
where:
Base-Base interactions energy: -76.159
where: short stacking energy: -32.756
Base-Backbone interact. energy: 0.180
local terms energy: -52.250234
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -4.614
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -129.945248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.945248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.945248 (E_RNA)
where:
Base-Base interactions energy: -81.691
where: short stacking energy: -40.932
Base-Backbone interact. energy: -0.108
local terms energy: -48.146506
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -10.197
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -80.045176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.045176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.045176 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -26.781
Base-Backbone interact. energy: 0.280
local terms energy: -51.430221
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -205.658227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.658227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.658227 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -70.782
Base-Backbone interact. energy: -0.012
local terms energy: -75.097864
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -207.650172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.650172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.650172 (E_RNA)
where:
Base-Base interactions energy: -126.720
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.015
local terms energy: -80.914866
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -180.140633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.140633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.140633 (E_RNA)
where:
Base-Base interactions energy: -105.824
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.100
local terms energy: -74.217247
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -13.760
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -171.623303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.623303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.623303 (E_RNA)
where:
Base-Base interactions energy: -105.600
where: short stacking energy: -56.091
Base-Backbone interact. energy: 0.618
local terms energy: -66.641396
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -171.941458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.941458 (E_RNA)
where:
Base-Base interactions energy: -99.347
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.439
local terms energy: -72.155691
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.076
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: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -149.818291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.818291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.818291 (E_RNA)
where:
Base-Base interactions energy: -91.408
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.026
local terms energy: -58.384815
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -7.414
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: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -98.507483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.507483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.507483 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -33.909
Base-Backbone interact. energy: -0.165
local terms energy: -57.315259
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -1.148
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -140.662233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.662233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.662233 (E_RNA)
where:
Base-Base interactions energy: -81.881
where: short stacking energy: -46.115
Base-Backbone interact. energy: -1.860
local terms energy: -56.921014
where:
bonds (distance) C4'-P energy: -6.004
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -12.294
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: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -118.755061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.755061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.755061 (E_RNA)
where:
Base-Base interactions energy: -60.748
where: short stacking energy: -42.174
Base-Backbone interact. energy: 0.027
local terms energy: -58.033933
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -7.850
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: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -108.647355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.647355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.647355 (E_RNA)
where:
Base-Base interactions energy: -53.520
where: short stacking energy: -26.005
Base-Backbone interact. energy: 1.806
local terms energy: -56.933387
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -211.634121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.634121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.634121 (E_RNA)
where:
Base-Base interactions energy: -130.167
where: short stacking energy: -77.594
Base-Backbone interact. energy: -0.003
local terms energy: -81.463721
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -20.277
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: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -193.306872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.306872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.306872 (E_RNA)
where:
Base-Base interactions energy: -122.235
where: short stacking energy: -56.835
Base-Backbone interact. energy: -0.021
local terms energy: -71.051161
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -175.045979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.045979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.045979 (E_RNA)
where:
Base-Base interactions energy: -104.351
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.519
local terms energy: -70.176106
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -180.981609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.981609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.981609 (E_RNA)
where:
Base-Base interactions energy: -105.174
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.011
local terms energy: -75.796819
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -185.540629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.540629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.540629 (E_RNA)
where:
Base-Base interactions energy: -116.024
where: short stacking energy: -61.442
Base-Backbone interact. energy: -0.044
local terms energy: -69.472648
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -13.076
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: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -175.911125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.911125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.911125 (E_RNA)
where:
Base-Base interactions energy: -112.565
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.084
local terms energy: -63.261966
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -155.776284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.776284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.776284 (E_RNA)
where:
Base-Base interactions energy: -88.516
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.115
local terms energy: -67.145739
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -114.256728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.256728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.256728 (E_RNA)
where:
Base-Base interactions energy: -60.485
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.062
local terms energy: -53.709492
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -0.143
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: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -90.487106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.487106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.487106 (E_RNA)
where:
Base-Base interactions energy: -35.636
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.557
local terms energy: -54.294499
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -4.155
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: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -79.957782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.957782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.957782 (E_RNA)
where:
Base-Base interactions energy: -22.484
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.123
local terms energy: -57.350907
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -218.353010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353010 (E_RNA)
where:
Base-Base interactions energy: -133.017
where: short stacking energy: -77.798
Base-Backbone interact. energy: -0.065
local terms energy: -85.270914
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -198.615381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.615381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.615381 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.431
local terms energy: -69.602927
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -12.384
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -189.021324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.021324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.021324 (E_RNA)
where:
Base-Base interactions energy: -116.999
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.055
local terms energy: -71.967805
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -167.486521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.486521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.486521 (E_RNA)
where:
Base-Base interactions energy: -101.636
where: short stacking energy: -54.915
Base-Backbone interact. energy: -0.102
local terms energy: -65.748450
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.431
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -171.118276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.118276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.118276 (E_RNA)
where:
Base-Base interactions energy: -96.573
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.099
local terms energy: -74.446023
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -159.995591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.995591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.995591 (E_RNA)
where:
Base-Base interactions energy: -99.632
where: short stacking energy: -52.775
Base-Backbone interact. energy: -0.137
local terms energy: -60.225980
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -10.143
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: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -150.458396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.458396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.458396 (E_RNA)
where:
Base-Base interactions energy: -92.278
where: short stacking energy: -49.921
Base-Backbone interact. energy: -0.841
local terms energy: -57.340013
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -87.712733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712733 (E_RNA)
where:
Base-Base interactions energy: -29.291
where: short stacking energy: -29.291
Base-Backbone interact. energy: -0.326
local terms energy: -58.095251
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -100.418875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.418875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.418875 (E_RNA)
where:
Base-Base interactions energy: -41.475
where: short stacking energy: -25.431
Base-Backbone interact. energy: 0.036
local terms energy: -58.980050
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.175
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: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -75.206301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.206301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.206301 (E_RNA)
where:
Base-Base interactions energy: -19.986
where: short stacking energy: -18.774
Base-Backbone interact. energy: -0.354
local terms energy: -54.865717
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -8.683
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: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -214.035181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.035181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.035181 (E_RNA)
where:
Base-Base interactions energy: -130.758
where: short stacking energy: -79.221
Base-Backbone interact. energy: -0.001
local terms energy: -83.276242
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -24.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -215.973926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.973926 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -79.451
Base-Backbone interact. energy: -0.000
local terms energy: -79.133715
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -23.495
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: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -186.380686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.380686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.380686 (E_RNA)
where:
Base-Base interactions energy: -114.246
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.002
local terms energy: -72.133112
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -10.716
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: 4, replica: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -164.207324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.207324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.207324 (E_RNA)
where:
Base-Base interactions energy: -91.021
where: short stacking energy: -54.003
Base-Backbone interact. energy: -0.015
local terms energy: -73.171821
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -168.367010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.367010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.367010 (E_RNA)
where:
Base-Base interactions energy: -101.556
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.016
local terms energy: -66.795104
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -16.615
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -160.085413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.085413 (E_RNA)
where:
Base-Base interactions energy: -89.917
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.069
local terms energy: -70.099662
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -126.079263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.079263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.079263 (E_RNA)
where:
Base-Base interactions energy: -66.365
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.056
local terms energy: -59.657959
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.003
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: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -90.012945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012945 (E_RNA)
where:
Base-Base interactions energy: -41.311
where: short stacking energy: -18.691
Base-Backbone interact. energy: -0.169
local terms energy: -48.533228
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.758
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: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -86.133825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.133825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.133825 (E_RNA)
where:
Base-Base interactions energy: -26.609
where: short stacking energy: -26.609
Base-Backbone interact. energy: -0.215
local terms energy: -59.309150
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -81.480463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.480463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.480463 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.131
local terms energy: -47.038280
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -5.401
flat angles P-C4'-P energy: -11.193
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: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -224.626106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.626106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.626106 (E_RNA)
where:
Base-Base interactions energy: -139.537
where: short stacking energy: -87.821
Base-Backbone interact. energy: -0.124
local terms energy: -84.965607
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -25.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -212.611358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.611358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611358 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.030
local terms energy: -81.886759
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -20.843
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: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -184.564020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.564020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.564020 (E_RNA)
where:
Base-Base interactions energy: -107.793
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.002
local terms energy: -76.768810
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -156.090851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.090851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.090851 (E_RNA)
where:
Base-Base interactions energy: -90.649
where: short stacking energy: -48.343
Base-Backbone interact. energy: -0.346
local terms energy: -65.095925
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.636
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: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -151.283534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.283534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.283534 (E_RNA)
where:
Base-Base interactions energy: -86.172
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.048
local terms energy: -65.063696
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -169.086304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.086304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.086304 (E_RNA)
where:
Base-Base interactions energy: -103.273
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.022
local terms energy: -65.791641
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -15.800
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: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -133.122724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.122724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.122724 (E_RNA)
where:
Base-Base interactions energy: -77.376
where: short stacking energy: -43.265
Base-Backbone interact. energy: -0.167
local terms energy: -55.580072
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -9.557
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: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -89.945614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.945614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.945614 (E_RNA)
where:
Base-Base interactions energy: -33.296
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.083
local terms energy: -56.566544
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -120.322607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.322607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.322607 (E_RNA)
where:
Base-Base interactions energy: -63.931
where: short stacking energy: -34.819
Base-Backbone interact. energy: -0.249
local terms energy: -56.142645
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -10.111
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: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.922009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.922009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.922009 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.178
local terms energy: -49.204012
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: 0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -213.409234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.409234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.409234 (E_RNA)
where:
Base-Base interactions energy: -132.203
where: short stacking energy: -78.583
Base-Backbone interact. energy: -1.643
local terms energy: -79.563279
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -217.558275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.558275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.558275 (E_RNA)
where:
Base-Base interactions energy: -134.451
where: short stacking energy: -76.601
Base-Backbone interact. energy: -0.004
local terms energy: -83.104040
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -22.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -185.635930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.635930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.635930 (E_RNA)
where:
Base-Base interactions energy: -119.368
where: short stacking energy: -68.011
Base-Backbone interact. energy: -0.128
local terms energy: -66.139798
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -17.886
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: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -182.424073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.424073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.424073 (E_RNA)
where:
Base-Base interactions energy: -104.207
where: short stacking energy: -63.614
Base-Backbone interact. energy: 0.827
local terms energy: -79.043957
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -163.886533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.886533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.886533 (E_RNA)
where:
Base-Base interactions energy: -99.905
where: short stacking energy: -56.356
Base-Backbone interact. energy: -0.006
local terms energy: -63.974604
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -5.993
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: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -152.715120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.715120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.715120 (E_RNA)
where:
Base-Base interactions energy: -90.802
where: short stacking energy: -49.925
Base-Backbone interact. energy: -0.082
local terms energy: -61.831210
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -139.688428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.688428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.688428 (E_RNA)
where:
Base-Base interactions energy: -83.297
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.129
local terms energy: -56.262019
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -7.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -95.105471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.105471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.105471 (E_RNA)
where:
Base-Base interactions energy: -35.727
where: short stacking energy: -35.727
Base-Backbone interact. energy: 0.052
local terms energy: -59.430213
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -124.874652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.874652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.874652 (E_RNA)
where:
Base-Base interactions energy: -70.584
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.704
local terms energy: -53.586733
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -86.077216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077216 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.063
local terms energy: -53.473311
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -5.236
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: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -221.623927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.623927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.623927 (E_RNA)
where:
Base-Base interactions energy: -138.659
where: short stacking energy: -85.767
Base-Backbone interact. energy: 0.087
local terms energy: -83.051904
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -25.903
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: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -197.742911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.742911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.742911 (E_RNA)
where:
Base-Base interactions energy: -117.820
where: short stacking energy: -64.983
Base-Backbone interact. energy: -1.090
local terms energy: -78.832963
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -210.883941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.883941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.883941 (E_RNA)
where:
Base-Base interactions energy: -133.322
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.036
local terms energy: -77.525527
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -172.313832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.313832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.313832 (E_RNA)
where:
Base-Base interactions energy: -103.267
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.031
local terms energy: -69.016351
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -12.765
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: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -165.469375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.469375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.469375 (E_RNA)
where:
Base-Base interactions energy: -97.376
where: short stacking energy: -49.290
Base-Backbone interact. energy: -0.403
local terms energy: -67.690265
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.958
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: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -134.324503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.324503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.324503 (E_RNA)
where:
Base-Base interactions energy: -66.438
where: short stacking energy: -44.494
Base-Backbone interact. energy: -0.075
local terms energy: -67.810893
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.259
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: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -174.425706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.425706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.425706 (E_RNA)
where:
Base-Base interactions energy: -104.970
where: short stacking energy: -62.282
Base-Backbone interact. energy: 0.302
local terms energy: -69.758062
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -109.163215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163215 (E_RNA)
where:
Base-Base interactions energy: -52.586
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.771
local terms energy: -55.806371
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -93.838598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.838598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.838598 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.137
local terms energy: -49.228655
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -1.171
tors. eta vs tors. theta energy: -3.711
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: 383
Temperature: 1.350000
Total energy: -78.903092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.903092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.903092 (E_RNA)
where:
Base-Base interactions energy: -26.782
where: short stacking energy: -26.782
Base-Backbone interact. energy: -0.223
local terms energy: -51.898250
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -5.877
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: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -202.711793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.711793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.711793 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -72.444
Base-Backbone interact. energy: -0.677
local terms energy: -75.621061
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -207.488676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.488676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.488676 (E_RNA)
where:
Base-Base interactions energy: -126.707
where: short stacking energy: -73.403
Base-Backbone interact. energy: -0.092
local terms energy: -80.689472
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -208.524118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.524118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.524118 (E_RNA)
where:
Base-Base interactions energy: -129.100
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.021
local terms energy: -79.403031
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -22.310
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: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -171.113057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.113057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.113057 (E_RNA)
where:
Base-Base interactions energy: -102.291
where: short stacking energy: -60.263
Base-Backbone interact. energy: 0.303
local terms energy: -69.125916
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -155.921161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.921161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.921161 (E_RNA)
where:
Base-Base interactions energy: -90.472
where: short stacking energy: -46.271
Base-Backbone interact. energy: 2.204
local terms energy: -67.653107
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -108.955820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.955820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.955820 (E_RNA)
where:
Base-Base interactions energy: -51.922
where: short stacking energy: -39.336
Base-Backbone interact. energy: -0.211
local terms energy: -56.823302
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -4.195
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: 384
Temperature: 1.200000
Total energy: -140.975085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.975085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.975085 (E_RNA)
where:
Base-Base interactions energy: -78.459
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.349
local terms energy: -62.167714
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -3.649
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: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -153.265561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.265561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.265561 (E_RNA)
where:
Base-Base interactions energy: -92.365
where: short stacking energy: -54.938
Base-Backbone interact. energy: -0.128
local terms energy: -60.772658
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -9.054
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: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -95.658670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.658670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.658670 (E_RNA)
where:
Base-Base interactions energy: -42.612
where: short stacking energy: -42.612
Base-Backbone interact. energy: -0.102
local terms energy: -52.945323
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.167
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: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -86.879923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.879923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.879923 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.266
local terms energy: -52.128405
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -6.426
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: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -194.535450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.535450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.535450 (E_RNA)
where:
Base-Base interactions energy: -114.834
where: short stacking energy: -66.385
Base-Backbone interact. energy: -0.009
local terms energy: -79.692834
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -20.583
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: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -217.532081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.532081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.532081 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -71.550
Base-Backbone interact. energy: 1.306
local terms energy: -80.926820
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -197.581459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.581459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.581459 (E_RNA)
where:
Base-Base interactions energy: -117.077
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.073
local terms energy: -80.431436
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -177.620320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.620320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.620320 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.138
local terms energy: -68.959045
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -164.682708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.682708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.682708 (E_RNA)
where:
Base-Base interactions energy: -94.472
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.317
local terms energy: -69.894205
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -145.203974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.203974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.203974 (E_RNA)
where:
Base-Base interactions energy: -84.759
where: short stacking energy: -40.754
Base-Backbone interact. energy: -0.291
local terms energy: -60.153963
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -97.082742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.082742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.082742 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -29.803
Base-Backbone interact. energy: -0.134
local terms energy: -51.999522
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -146.811543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.811543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.811543 (E_RNA)
where:
Base-Base interactions energy: -86.177
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.005
local terms energy: -60.629717
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -8.543
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: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -94.547758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.547758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.547758 (E_RNA)
where:
Base-Base interactions energy: -40.076
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.154
local terms energy: -54.317781
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -83.531837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.531837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.531837 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -29.101
Base-Backbone interact. energy: 0.402
local terms energy: -54.833631
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.083
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: 386
Temperature: 0.900000
Total energy: -214.120529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.120529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.120529 (E_RNA)
where:
Base-Base interactions energy: -136.953
where: short stacking energy: -76.725
Base-Backbone interact. energy: -0.080
local terms energy: -77.087500
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -178.043987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.043987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.043987 (E_RNA)
where:
Base-Base interactions energy: -106.863
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.232
local terms energy: -70.948215
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -190.838756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.838756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.838756 (E_RNA)
where:
Base-Base interactions energy: -114.206
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.004
local terms energy: -76.628368
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -193.187334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.187334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.187334 (E_RNA)
where:
Base-Base interactions energy: -119.913
where: short stacking energy: -61.165
Base-Backbone interact. energy: -0.001
local terms energy: -73.272990
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -175.610576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.610576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.610576 (E_RNA)
where:
Base-Base interactions energy: -104.513
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.077
local terms energy: -71.020790
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -175.130666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.130666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.130666 (E_RNA)
where:
Base-Base interactions energy: -98.113
where: short stacking energy: -57.349
Base-Backbone interact. energy: 0.363
local terms energy: -77.380727
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -152.441410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.441410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.441410 (E_RNA)
where:
Base-Base interactions energy: -87.845
where: short stacking energy: -51.791
Base-Backbone interact. energy: -0.034
local terms energy: -64.563174
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -88.494206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494206 (E_RNA)
where:
Base-Base interactions energy: -41.660
where: short stacking energy: -41.487
Base-Backbone interact. energy: 0.847
local terms energy: -47.680959
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -5.059
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: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -77.482624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.482624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.482624 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -23.054
Base-Backbone interact. energy: -0.272
local terms energy: -47.599779
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -4.048
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: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -90.704267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.704267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.704267 (E_RNA)
where:
Base-Base interactions energy: -33.133
where: short stacking energy: -33.133
Base-Backbone interact. energy: -0.054
local terms energy: -57.517228
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -9.850
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: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -220.413448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413448 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -78.043
Base-Backbone interact. energy: -0.017
local terms energy: -87.126631
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -190.582399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.582399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.582399 (E_RNA)
where:
Base-Base interactions energy: -113.997
where: short stacking energy: -73.955
Base-Backbone interact. energy: -0.007
local terms energy: -76.578626
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -182.998210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.998210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.998210 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.134
local terms energy: -72.299965
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -192.025139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.025139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.025139 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.021
local terms energy: -75.914673
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -157.687712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.687712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.687712 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.291
local terms energy: -65.036502
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -10.302
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: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -164.068968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.068968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.068968 (E_RNA)
where:
Base-Base interactions energy: -86.504
where: short stacking energy: -44.640
Base-Backbone interact. energy: -0.123
local terms energy: -77.442550
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -159.695133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.695133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.695133 (E_RNA)
where:
Base-Base interactions energy: -98.332
where: short stacking energy: -57.120
Base-Backbone interact. energy: 0.008
local terms energy: -61.371568
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.102
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: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -99.305207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.305207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.305207 (E_RNA)
where:
Base-Base interactions energy: -51.225
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.079
local terms energy: -48.001245
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -81.073551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073551 (E_RNA)
where:
Base-Base interactions energy: -22.075
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.082
local terms energy: -58.916548
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -71.398057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.398057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.398057 (E_RNA)
where:
Base-Base interactions energy: -20.180
where: short stacking energy: -20.180
Base-Backbone interact. energy: -0.481
local terms energy: -50.737970
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -227.770421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.770421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.770421 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -80.796
Base-Backbone interact. energy: -0.007
local terms energy: -88.635855
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -187.205040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.205040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.205040 (E_RNA)
where:
Base-Base interactions energy: -106.434
where: short stacking energy: -64.915
Base-Backbone interact. energy: 0.726
local terms energy: -81.497843
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -201.228626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.228626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.228626 (E_RNA)
where:
Base-Base interactions energy: -126.284
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.008
local terms energy: -74.937316
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -12.961
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -174.448923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.448923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.448923 (E_RNA)
where:
Base-Base interactions energy: -99.677
where: short stacking energy: -53.044
Base-Backbone interact. energy: -0.011
local terms energy: -74.761013
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -155.921540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.921540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.921540 (E_RNA)
where:
Base-Base interactions energy: -91.491
where: short stacking energy: -50.334
Base-Backbone interact. energy: -0.035
local terms energy: -64.395562
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -12.170
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: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -169.251782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.251782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.251782 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.256
local terms energy: -60.274135
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -106.594169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.594169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.594169 (E_RNA)
where:
Base-Base interactions energy: -50.653
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.123
local terms energy: -55.817633
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.759
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: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -150.814904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.814904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.814904 (E_RNA)
where:
Base-Base interactions energy: -88.210
where: short stacking energy: -44.055
Base-Backbone interact. energy: -0.449
local terms energy: -62.156566
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -98.756600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.756600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.756600 (E_RNA)
where:
Base-Base interactions energy: -30.979
where: short stacking energy: -30.979
Base-Backbone interact. energy: -0.006
local terms energy: -67.772262
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -72.651124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.651124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.651124 (E_RNA)
where:
Base-Base interactions energy: -34.064
where: short stacking energy: -27.062
Base-Backbone interact. energy: -0.226
local terms energy: -38.361555
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -4.798
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: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -217.304171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.304171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.304171 (E_RNA)
where:
Base-Base interactions energy: -136.092
where: short stacking energy: -72.437
Base-Backbone interact. energy: -0.007
local terms energy: -81.205082
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -189.141972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.141972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.141972 (E_RNA)
where:
Base-Base interactions energy: -108.678
where: short stacking energy: -64.234
Base-Backbone interact. energy: -0.012
local terms energy: -80.451924
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -212.963618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.963618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.963618 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.171
local terms energy: -77.696371
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -21.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -169.606603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.606603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.606603 (E_RNA)
where:
Base-Base interactions energy: -97.262
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.063
local terms energy: -72.281674
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -15.774
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: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -184.724236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.724236 (E_RNA)
where:
Base-Base interactions energy: -109.750
where: short stacking energy: -65.553
Base-Backbone interact. energy: 0.170
local terms energy: -75.144627
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -162.948756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.948756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.948756 (E_RNA)
where:
Base-Base interactions energy: -87.831
where: short stacking energy: -50.884
Base-Backbone interact. energy: -0.005
local terms energy: -75.112773
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -99.695225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.695225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.695225 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.118
local terms energy: -60.783916
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -149.961381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.961381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.961381 (E_RNA)
where:
Base-Base interactions energy: -83.836
where: short stacking energy: -41.424
Base-Backbone interact. energy: -0.255
local terms energy: -65.870728
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -85.254538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.254538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.254538 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -26.459
Base-Backbone interact. energy: -0.024
local terms energy: -51.806283
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -77.580434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.580434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.580434 (E_RNA)
where:
Base-Base interactions energy: -26.732
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.300
local terms energy: -50.549028
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -222.338153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.338153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.338153 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -78.481
Base-Backbone interact. energy: -0.046
local terms energy: -81.896996
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -182.026816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.026816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.026816 (E_RNA)
where:
Base-Base interactions energy: -107.748
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.669
local terms energy: -73.609640
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -201.205458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.205458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.205458 (E_RNA)
where:
Base-Base interactions energy: -120.357
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.010
local terms energy: -80.839197
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -180.859314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859314 (E_RNA)
where:
Base-Base interactions energy: -109.268
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.064
local terms energy: -71.527297
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -189.985431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.985431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.985431 (E_RNA)
where:
Base-Base interactions energy: -118.701
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.121
local terms energy: -71.163445
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -21.144
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: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -151.812114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.812114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.812114 (E_RNA)
where:
Base-Base interactions energy: -90.224
where: short stacking energy: -42.023
Base-Backbone interact. energy: -0.022
local terms energy: -61.566341
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -12.052
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: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -156.734626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.734626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.734626 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.520
local terms energy: -61.035999
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -98.877322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.877322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.877322 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -37.649
Base-Backbone interact. energy: -0.095
local terms energy: -53.699391
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.153
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: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -86.889535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.889535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.889535 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -33.293
Base-Backbone interact. energy: -0.224
local terms energy: -51.308610
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -86.713305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.713305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.713305 (E_RNA)
where:
Base-Base interactions energy: -38.410
where: short stacking energy: -38.410
Base-Backbone interact. energy: -0.610
local terms energy: -47.692840
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -5.420
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -11.703
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: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -223.336882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.336882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.336882 (E_RNA)
where:
Base-Base interactions energy: -139.755
where: short stacking energy: -85.692
Base-Backbone interact. energy: -0.008
local terms energy: -83.573926
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -210.010924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.010924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.010924 (E_RNA)
where:
Base-Base interactions energy: -130.310
where: short stacking energy: -80.916
Base-Backbone interact. energy: -0.025
local terms energy: -79.675796
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -185.292726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.292726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.292726 (E_RNA)
where:
Base-Base interactions energy: -112.488
where: short stacking energy: -62.281
Base-Backbone interact. energy: -0.074
local terms energy: -72.730785
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -17.022
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -179.385195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.385195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.385195 (E_RNA)
where:
Base-Base interactions energy: -100.771
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.002
local terms energy: -78.612858
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -181.540402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.540402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.540402 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.043
local terms energy: -68.666744
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -159.341461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.341461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.341461 (E_RNA)
where:
Base-Base interactions energy: -99.163
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.139
local terms energy: -60.039484
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.245
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: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -151.353445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.353445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.353445 (E_RNA)
where:
Base-Base interactions energy: -87.830
where: short stacking energy: -49.549
Base-Backbone interact. energy: 2.357
local terms energy: -65.880628
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -13.948
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: 391
Temperature: 1.250000
Total energy: -88.645396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.645396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.645396 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -30.569
Base-Backbone interact. energy: 0.173
local terms energy: -58.249266
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -7.355
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: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -92.054342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054342 (E_RNA)
where:
Base-Base interactions energy: -36.742
where: short stacking energy: -35.043
Base-Backbone interact. energy: -0.150
local terms energy: -55.162316
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -78.179974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.179974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.179974 (E_RNA)
where:
Base-Base interactions energy: -25.831
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.242
local terms energy: -52.107151
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -221.900759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.900759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.900759 (E_RNA)
where:
Base-Base interactions energy: -136.647
where: short stacking energy: -79.627
Base-Backbone interact. energy: -0.021
local terms energy: -85.233538
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -215.484409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.484409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.484409 (E_RNA)
where:
Base-Base interactions energy: -131.059
where: short stacking energy: -77.323
Base-Backbone interact. energy: -0.016
local terms energy: -84.409354
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -183.528836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.528836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.528836 (E_RNA)
where:
Base-Base interactions energy: -101.675
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.048
local terms energy: -81.805683
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -176.422119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.422119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.422119 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.030
local terms energy: -69.602543
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -14.484
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: 392
Temperature: 1.100000
Total energy: -160.445176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.445176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.445176 (E_RNA)
where:
Base-Base interactions energy: -100.248
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.097
local terms energy: -60.100420
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -7.460
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: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -155.467308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.467308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.467308 (E_RNA)
where:
Base-Base interactions energy: -93.173
where: short stacking energy: -43.670
Base-Backbone interact. energy: -0.335
local terms energy: -61.959288
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -13.043
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -122.398344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.398344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.398344 (E_RNA)
where:
Base-Base interactions energy: -68.480
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.304
local terms energy: -53.614855
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.193
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: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -143.092561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.092561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.092561 (E_RNA)
where:
Base-Base interactions energy: -84.675
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.241
local terms energy: -58.176033
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.124
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: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -84.714089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714089 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -19.405
Base-Backbone interact. energy: -0.218
local terms energy: -46.607998
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -2.114
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -77.368349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.368349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.368349 (E_RNA)
where:
Base-Base interactions energy: -29.465
where: short stacking energy: -28.262
Base-Backbone interact. energy: -0.132
local terms energy: -47.771180
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.555
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: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -224.719433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.719433 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -81.787
Base-Backbone interact. energy: -0.015
local terms energy: -84.036590
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -207.299854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.299854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.299854 (E_RNA)
where:
Base-Base interactions energy: -129.439
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.023
local terms energy: -77.837724
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -182.269248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.269248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.269248 (E_RNA)
where:
Base-Base interactions energy: -109.114
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.115
local terms energy: -73.040027
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -175.096260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.096260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.096260 (E_RNA)
where:
Base-Base interactions energy: -103.545
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.017
local terms energy: -71.534300
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -163.052902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.052902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.052902 (E_RNA)
where:
Base-Base interactions energy: -99.500
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.085
local terms energy: -63.468199
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.425
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: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -153.977976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.977976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.977976 (E_RNA)
where:
Base-Base interactions energy: -90.033
where: short stacking energy: -48.866
Base-Backbone interact. energy: 0.571
local terms energy: -64.516930
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.762
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: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -118.686579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.686579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.686579 (E_RNA)
where:
Base-Base interactions energy: -62.907
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.199
local terms energy: -55.580740
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -1.127
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: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -94.778231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.778231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.778231 (E_RNA)
where:
Base-Base interactions energy: -42.991
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.111
local terms energy: -51.676431
where:
bonds (distance) C4'-P energy: -6.790
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -74.235752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.235752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.235752 (E_RNA)
where:
Base-Base interactions energy: -30.707
where: short stacking energy: -30.707
Base-Backbone interact. energy: 1.327
local terms energy: -44.855540
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -74.246398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.246398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.246398 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.080
local terms energy: -42.308585
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: 2.554
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: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -222.230358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.230358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.230358 (E_RNA)
where:
Base-Base interactions energy: -135.171
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.003
local terms energy: -87.056436
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -214.643741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.643741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.643741 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -75.971
Base-Backbone interact. energy: -0.032
local terms energy: -80.036597
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -21.783
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: 394
Temperature: 1.000000
Total energy: -178.841694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.841694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.841694 (E_RNA)
where:
Base-Base interactions energy: -106.299
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.131
local terms energy: -72.412135
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -18.145
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: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -158.145630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.145630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.145630 (E_RNA)
where:
Base-Base interactions energy: -98.648
where: short stacking energy: -51.751
Base-Backbone interact. energy: -0.071
local terms energy: -59.426745
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -10.212
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: 394
Temperature: 1.100000
Total energy: -171.314617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.314617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.314617 (E_RNA)
where:
Base-Base interactions energy: -97.766
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.038
local terms energy: -73.511002
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.744
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: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -161.326674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.326674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.326674 (E_RNA)
where:
Base-Base interactions energy: -95.415
where: short stacking energy: -53.083
Base-Backbone interact. energy: -0.358
local terms energy: -65.553940
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -108.612831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.612831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.612831 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -39.278
Base-Backbone interact. energy: 1.526
local terms energy: -70.860067
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -13.675
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: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -93.873011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.873011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.873011 (E_RNA)
where:
Base-Base interactions energy: -38.989
where: short stacking energy: -38.989
Base-Backbone interact. energy: -0.015
local terms energy: -54.869607
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -7.615
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -8.038
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: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -82.732012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732012 (E_RNA)
where:
Base-Base interactions energy: -34.479
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.099
local terms energy: -48.154097
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -8.767
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: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -78.577617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.577617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.577617 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.132
local terms energy: -49.854631
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -11.501
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: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -194.248056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.248056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.248056 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.013
local terms energy: -69.422818
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -229.581870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.581870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.581870 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -85.027
Base-Backbone interact. energy: -0.004
local terms energy: -87.309550
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -181.380920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.380920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.380920 (E_RNA)
where:
Base-Base interactions energy: -114.042
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.655
local terms energy: -66.683720
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.021
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: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -155.782819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.782819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.782819 (E_RNA)
where:
Base-Base interactions energy: -89.760
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.110
local terms energy: -65.912145
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -178.639004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.639004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.639004 (E_RNA)
where:
Base-Base interactions energy: -104.950
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.142
local terms energy: -73.547679
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -155.334269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.334269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.334269 (E_RNA)
where:
Base-Base interactions energy: -98.961
where: short stacking energy: -59.962
Base-Backbone interact. energy: 0.585
local terms energy: -56.958233
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.739
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: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -104.781742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.781742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.781742 (E_RNA)
where:
Base-Base interactions energy: -41.928
where: short stacking energy: -41.928
Base-Backbone interact. energy: -0.011
local terms energy: -62.842560
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -87.735855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.735855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.735855 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.088
local terms energy: -47.136860
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -7.901
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: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -86.731950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.731950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.731950 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.145
local terms energy: -53.259467
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -6.157
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: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -84.288275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.288275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.288275 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -22.953
Base-Backbone interact. energy: -0.068
local terms energy: -51.997007
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -1.200
tors. eta vs tors. theta energy: -8.533
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: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -219.957444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.957444 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -76.409
Base-Backbone interact. energy: -0.009
local terms energy: -83.784523
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -24.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -195.384938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.384938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.384938 (E_RNA)
where:
Base-Base interactions energy: -117.770
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.041
local terms energy: -77.573529
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -175.859998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.859998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.859998 (E_RNA)
where:
Base-Base interactions energy: -109.765
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.202
local terms energy: -65.892606
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -174.012994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.012994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.012994 (E_RNA)
where:
Base-Base interactions energy: -102.100
where: short stacking energy: -55.052
Base-Backbone interact. energy: -1.692
local terms energy: -70.221284
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -162.017913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.017913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.017913 (E_RNA)
where:
Base-Base interactions energy: -90.795
where: short stacking energy: -52.227
Base-Backbone interact. energy: 2.342
local terms energy: -73.564917
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -14.666
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: 396
Temperature: 1.150000
Total energy: -151.652654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.652654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.652654 (E_RNA)
where:
Base-Base interactions energy: -80.794
where: short stacking energy: -46.225
Base-Backbone interact. energy: -0.125
local terms energy: -70.733955
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -11.476
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: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -104.957791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.957791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.957791 (E_RNA)
where:
Base-Base interactions energy: -46.570
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.002
local terms energy: -58.386082
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -3.058
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: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -97.646217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.646217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.646217 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.383
local terms energy: -58.542104
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -77.838756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.838756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.838756 (E_RNA)
where:
Base-Base interactions energy: -28.394
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.886
local terms energy: -48.558692
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -98.961991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.961991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.961991 (E_RNA)
where:
Base-Base interactions energy: -42.177
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.005
local terms energy: -56.779367
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -220.233976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.233976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.233976 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -76.956
Base-Backbone interact. energy: -0.015
local terms energy: -78.513775
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -193.750276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.750276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.750276 (E_RNA)
where:
Base-Base interactions energy: -129.253
where: short stacking energy: -66.876
Base-Backbone interact. energy: -0.621
local terms energy: -63.876106
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -207.537408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.537408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.537408 (E_RNA)
where:
Base-Base interactions energy: -132.021
where: short stacking energy: -76.161
Base-Backbone interact. energy: -0.018
local terms energy: -75.498955
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -19.325
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: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -155.529894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.529894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.529894 (E_RNA)
where:
Base-Base interactions energy: -96.372
where: short stacking energy: -53.951
Base-Backbone interact. energy: 0.406
local terms energy: -59.563546
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -8.760
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -163.901053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.901053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.901053 (E_RNA)
where:
Base-Base interactions energy: -98.277
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.083
local terms energy: -65.540824
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -124.644093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.644093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.644093 (E_RNA)
where:
Base-Base interactions energy: -54.021
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.042
local terms energy: -70.581367
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -12.179
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: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -134.507702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.507702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.507702 (E_RNA)
where:
Base-Base interactions energy: -77.527
where: short stacking energy: -45.273
Base-Backbone interact. energy: 0.955
local terms energy: -57.936182
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -94.751021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.751021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.751021 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.560
local terms energy: -61.174566
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -84.964711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.964711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.964711 (E_RNA)
where:
Base-Base interactions energy: -29.716
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.113
local terms energy: -55.135752
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -83.849369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.849369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.849369 (E_RNA)
where:
Base-Base interactions energy: -47.614
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.300
local terms energy: -35.935083
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -1.747
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: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -220.715208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.715208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.715208 (E_RNA)
where:
Base-Base interactions energy: -137.229
where: short stacking energy: -84.629
Base-Backbone interact. energy: -0.002
local terms energy: -83.484244
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -192.470027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.470027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.470027 (E_RNA)
where:
Base-Base interactions energy: -117.986
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.786
local terms energy: -73.698204
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -206.689587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.689587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.689587 (E_RNA)
where:
Base-Base interactions energy: -135.509
where: short stacking energy: -58.761
Base-Backbone interact. energy: -0.062
local terms energy: -71.118654
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -155.523339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.523339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.523339 (E_RNA)
where:
Base-Base interactions energy: -87.942
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.018
local terms energy: -67.563011
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -8.630
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: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -147.880231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.880231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.880231 (E_RNA)
where:
Base-Base interactions energy: -83.327
where: short stacking energy: -44.513
Base-Backbone interact. energy: -2.168
local terms energy: -62.385535
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -119.799914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.799914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.799914 (E_RNA)
where:
Base-Base interactions energy: -56.373
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.103
local terms energy: -63.323942
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -136.968871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.968871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.968871 (E_RNA)
where:
Base-Base interactions energy: -71.790
where: short stacking energy: -38.365
Base-Backbone interact. energy: -0.003
local terms energy: -65.175928
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -95.770057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.770057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.770057 (E_RNA)
where:
Base-Base interactions energy: -42.698
where: short stacking energy: -42.698
Base-Backbone interact. energy: -0.147
local terms energy: -52.925579
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -96.903586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.903586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.903586 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -35.331
Base-Backbone interact. energy: -0.094
local terms energy: -60.393686
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -94.206051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.206051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.206051 (E_RNA)
where:
Base-Base interactions energy: -41.868
where: short stacking energy: -41.497
Base-Backbone interact. energy: -0.085
local terms energy: -52.252789
where:
bonds (distance) C4'-P energy: -5.142
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -7.667
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: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -222.767122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.767122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.767122 (E_RNA)
where:
Base-Base interactions energy: -140.583
where: short stacking energy: -78.887
Base-Backbone interact. energy: 0.588
local terms energy: -82.772664
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -209.554311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.554311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.554311 (E_RNA)
where:
Base-Base interactions energy: -137.690
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.158
local terms energy: -71.706170
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -189.105435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.105435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.105435 (E_RNA)
where:
Base-Base interactions energy: -109.803
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.133
local terms energy: -79.169205
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -161.970669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.970669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.970669 (E_RNA)
where:
Base-Base interactions energy: -96.589
where: short stacking energy: -52.827
Base-Backbone interact. energy: 1.985
local terms energy: -67.367066
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -13.703
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -157.976110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.976110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.976110 (E_RNA)
where:
Base-Base interactions energy: -92.025
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.196
local terms energy: -65.755697
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -9.041
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: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -145.711067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.711067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.711067 (E_RNA)
where:
Base-Base interactions energy: -87.257
where: short stacking energy: -48.993
Base-Backbone interact. energy: -0.674
local terms energy: -57.779500
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -91.486396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486396 (E_RNA)
where:
Base-Base interactions energy: -36.504
where: short stacking energy: -36.504
Base-Backbone interact. energy: -0.163
local terms energy: -54.819039
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -106.199925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.199925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.199925 (E_RNA)
where:
Base-Base interactions energy: -64.283
where: short stacking energy: -36.748
Base-Backbone interact. energy: 1.273
local terms energy: -43.189864
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -7.216
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: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -92.511821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.511821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.511821 (E_RNA)
where:
Base-Base interactions energy: -34.923
where: short stacking energy: -26.014
Base-Backbone interact. energy: -0.233
local terms energy: -57.355679
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -6.870
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -8.840
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: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -76.430407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.430407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.430407 (E_RNA)
where:
Base-Base interactions energy: -29.844
where: short stacking energy: -29.844
Base-Backbone interact. energy: -0.291
local terms energy: -46.295371
where:
bonds (distance) C4'-P energy: -5.706
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -213.773639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.773639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.773639 (E_RNA)
where:
Base-Base interactions energy: -136.322
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.104
local terms energy: -77.346926
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -216.098807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.098807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.098807 (E_RNA)
where:
Base-Base interactions energy: -130.949
where: short stacking energy: -73.685
Base-Backbone interact. energy: -0.040
local terms energy: -85.109972
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -179.506045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.506045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.506045 (E_RNA)
where:
Base-Base interactions energy: -105.324
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.055
local terms energy: -74.127004
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -176.868285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.868285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.868285 (E_RNA)
where:
Base-Base interactions energy: -104.534
where: short stacking energy: -65.768
Base-Backbone interact. energy: -0.010
local terms energy: -72.324352
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -16.268
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -162.611966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.611966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.611966 (E_RNA)
where:
Base-Base interactions energy: -92.941
where: short stacking energy: -50.320
Base-Backbone interact. energy: -0.334
local terms energy: -69.337166
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -138.706959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.706959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.706959 (E_RNA)
where:
Base-Base interactions energy: -77.737
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.032
local terms energy: -60.938156
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -10.700
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: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -90.188930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.188930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.188930 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -38.797
Base-Backbone interact. energy: -0.434
local terms energy: -50.958143
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -2.883
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: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -91.195031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.195031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.195031 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -31.520
Base-Backbone interact. energy: -1.371
local terms energy: -52.402553
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -88.354075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.354075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.354075 (E_RNA)
where:
Base-Base interactions energy: -32.575
where: short stacking energy: -28.003
Base-Backbone interact. energy: -0.089
local terms energy: -55.690238
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -10.698
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -67.249587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.249587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.249587 (E_RNA)
where:
Base-Base interactions energy: -26.199
where: short stacking energy: -15.276
Base-Backbone interact. energy: -0.229
local terms energy: -40.821685
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -212.807982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.807982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.807982 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -61.057
Base-Backbone interact. energy: -0.113
local terms energy: -72.779195
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -205.434151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.434151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.434151 (E_RNA)
where:
Base-Base interactions energy: -134.035
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.013
local terms energy: -71.386291
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -177.847499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.847499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.847499 (E_RNA)
where:
Base-Base interactions energy: -103.036
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.149
local terms energy: -74.662430
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -177.323738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.323738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.323738 (E_RNA)
where:
Base-Base interactions energy: -107.598
where: short stacking energy: -63.108
Base-Backbone interact. energy: -0.000
local terms energy: -69.725312
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -17.002
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: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -171.181725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.181725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.181725 (E_RNA)
where:
Base-Base interactions energy: -98.204
where: short stacking energy: -50.928
Base-Backbone interact. energy: -0.702
local terms energy: -72.276225
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -150.240561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.240561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.240561 (E_RNA)
where:
Base-Base interactions energy: -85.011
where: short stacking energy: -57.058
Base-Backbone interact. energy: -0.068
local terms energy: -65.162170
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.770
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: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -99.541306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.541306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.541306 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.139
local terms energy: -61.614533
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -93.318361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318361 (E_RNA)
where:
Base-Base interactions energy: -32.797
where: short stacking energy: -32.797
Base-Backbone interact. energy: -0.235
local terms energy: -60.286498
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -92.018406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.018406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.018406 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -35.970
Base-Backbone interact. energy: -0.041
local terms energy: -56.006993
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -81.894469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894469 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.034
local terms energy: -58.216262
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -4.954
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: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -216.623050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.623050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.623050 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -79.786
Base-Backbone interact. energy: -0.053
local terms energy: -79.199637
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -215.644024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.644024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.644024 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -75.753
Base-Backbone interact. energy: -0.001
local terms energy: -85.032551
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -24.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -185.734080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.734080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.734080 (E_RNA)
where:
Base-Base interactions energy: -108.526
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.003
local terms energy: -77.204738
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -171.214232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.214232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.214232 (E_RNA)
where:
Base-Base interactions energy: -91.279
where: short stacking energy: -56.629
Base-Backbone interact. energy: 0.778
local terms energy: -80.713081
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -162.683564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.683564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.683564 (E_RNA)
where:
Base-Base interactions energy: -99.119
where: short stacking energy: -48.454
Base-Backbone interact. energy: -0.026
local terms energy: -63.537641
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -158.813236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.813236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.813236 (E_RNA)
where:
Base-Base interactions energy: -92.718
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.003
local terms energy: -66.091756
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -96.638790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.638790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.638790 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -39.527
Base-Backbone interact. energy: -0.019
local terms energy: -55.870593
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -9.342
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: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -80.515347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.515347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.515347 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.111
local terms energy: -51.934461
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -92.499522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499522 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.129
local terms energy: -55.681689
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -94.746433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.746433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.746433 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -38.125
Base-Backbone interact. energy: -0.059
local terms energy: -56.561962
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -8.028
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -226.698690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.698690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.698690 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.035
local terms energy: -91.968397
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -26.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -215.370054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.370054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.370054 (E_RNA)
where:
Base-Base interactions energy: -131.649
where: short stacking energy: -74.073
Base-Backbone interact. energy: -0.012
local terms energy: -83.708290
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -180.391561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.391561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.391561 (E_RNA)
where:
Base-Base interactions energy: -97.418
where: short stacking energy: -56.921
Base-Backbone interact. energy: 1.581
local terms energy: -84.554094
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -171.151180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.151180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.151180 (E_RNA)
where:
Base-Base interactions energy: -100.139
where: short stacking energy: -58.693
Base-Backbone interact. energy: 1.215
local terms energy: -72.226983
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -170.447688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.447688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.447688 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.024
local terms energy: -74.878678
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -110.690149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.690149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.690149 (E_RNA)
where:
Base-Base interactions energy: -50.625
where: short stacking energy: -48.701
Base-Backbone interact. energy: 0.151
local terms energy: -60.215881
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -8.449
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: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -141.494776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.494776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.494776 (E_RNA)
where:
Base-Base interactions energy: -78.351
where: short stacking energy: -45.233
Base-Backbone interact. energy: -0.032
local terms energy: -63.112208
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -10.212
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: 403
Temperature: 1.250000
Total energy: -89.678397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.678397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.678397 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.196
local terms energy: -52.672376
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -88.873191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.873191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.873191 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -31.763
Base-Backbone interact. energy: -0.009
local terms energy: -57.101623
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -80.628532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.628532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.628532 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.164
local terms energy: -48.828297
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -217.869472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.869472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.869472 (E_RNA)
where:
Base-Base interactions energy: -130.189
where: short stacking energy: -78.695
Base-Backbone interact. energy: -0.012
local terms energy: -87.668693
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -210.785251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.785251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.785251 (E_RNA)
where:
Base-Base interactions energy: -133.072
where: short stacking energy: -79.331
Base-Backbone interact. energy: -0.026
local terms energy: -77.687327
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -176.405768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.405768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.405768 (E_RNA)
where:
Base-Base interactions energy: -102.066
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.094
local terms energy: -74.245724
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -181.656495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.656495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.656495 (E_RNA)
where:
Base-Base interactions energy: -106.926
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.008
local terms energy: -74.722474
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -119.916004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.916004 (E_RNA)
where:
Base-Base interactions energy: -43.359
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.074
local terms energy: -76.482885
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -11.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -157.699336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.699336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.699336 (E_RNA)
where:
Base-Base interactions energy: -91.623
where: short stacking energy: -47.087
Base-Backbone interact. energy: 0.609
local terms energy: -66.685414
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -8.631
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: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -146.349855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.349855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.349855 (E_RNA)
where:
Base-Base interactions energy: -82.293
where: short stacking energy: -42.676
Base-Backbone interact. energy: -0.021
local terms energy: -64.035367
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -13.684
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: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -98.585587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.585587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.585587 (E_RNA)
where:
Base-Base interactions energy: -51.106
where: short stacking energy: -24.147
Base-Backbone interact. energy: -0.448
local terms energy: -47.031279
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -111.062689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.062689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.062689 (E_RNA)
where:
Base-Base interactions energy: -52.611
where: short stacking energy: -29.730
Base-Backbone interact. energy: -0.005
local terms energy: -58.446461
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -10.940
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -75.828047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.828047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.828047 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -22.213
Base-Backbone interact. energy: 0.165
local terms energy: -53.980235
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -1.907
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: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -222.638533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.638533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.638533 (E_RNA)
where:
Base-Base interactions energy: -135.825
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.936
local terms energy: -85.877799
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -22.628
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: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -182.859869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.859869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.859869 (E_RNA)
where:
Base-Base interactions energy: -106.724
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.014
local terms energy: -76.122129
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -215.682356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.682356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.682356 (E_RNA)
where:
Base-Base interactions energy: -135.584
where: short stacking energy: -73.038
Base-Backbone interact. energy: -0.707
local terms energy: -79.391698
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -168.084020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.084020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.084020 (E_RNA)
where:
Base-Base interactions energy: -104.137
where: short stacking energy: -59.962
Base-Backbone interact. energy: -0.006
local terms energy: -63.940992
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.931
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: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -100.925058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.925058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.925058 (E_RNA)
where:
Base-Base interactions energy: -44.202
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.247
local terms energy: -56.476035
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -146.746669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.746669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.746669 (E_RNA)
where:
Base-Base interactions energy: -90.149
where: short stacking energy: -45.243
Base-Backbone interact. energy: -0.066
local terms energy: -56.532191
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -152.176351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.176351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.176351 (E_RNA)
where:
Base-Base interactions energy: -87.241
where: short stacking energy: -40.731
Base-Backbone interact. energy: -0.205
local terms energy: -64.730336
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -93.713503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.713503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.713503 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -35.306
Base-Backbone interact. energy: -0.004
local terms energy: -53.624013
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -128.954191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.954191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.954191 (E_RNA)
where:
Base-Base interactions energy: -73.449
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.088
local terms energy: -55.417517
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.126543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.126543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.126543 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -32.770
Base-Backbone interact. energy: -0.249
local terms energy: -48.107660
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -9.125
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: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -222.884205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.884205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.884205 (E_RNA)
where:
Base-Base interactions energy: -136.932
where: short stacking energy: -83.345
Base-Backbone interact. energy: -0.414
local terms energy: -85.537609
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -198.784225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.784225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.784225 (E_RNA)
where:
Base-Base interactions energy: -119.419
where: short stacking energy: -81.650
Base-Backbone interact. energy: -1.648
local terms energy: -77.717193
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -209.095685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.095685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.095685 (E_RNA)
where:
Base-Base interactions energy: -127.684
where: short stacking energy: -76.779
Base-Backbone interact. energy: -0.032
local terms energy: -81.379657
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -173.905278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.905278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.905278 (E_RNA)
where:
Base-Base interactions energy: -97.037
where: short stacking energy: -58.770
Base-Backbone interact. energy: -0.120
local terms energy: -76.747923
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -14.850
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: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -155.877943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.877943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.877943 (E_RNA)
where:
Base-Base interactions energy: -82.276
where: short stacking energy: -45.212
Base-Backbone interact. energy: -0.224
local terms energy: -73.378097
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -132.081839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.081839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.081839 (E_RNA)
where:
Base-Base interactions energy: -73.383
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.535
local terms energy: -58.164586
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -100.347733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.347733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.347733 (E_RNA)
where:
Base-Base interactions energy: -42.178
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.182
local terms energy: -57.987903
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -135.447617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.447617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.447617 (E_RNA)
where:
Base-Base interactions energy: -71.465
where: short stacking energy: -38.574
Base-Backbone interact. energy: -0.110
local terms energy: -63.872273
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -94.971054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971054 (E_RNA)
where:
Base-Base interactions energy: -40.077
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.046
local terms energy: -54.848210
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -76.824594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824594 (E_RNA)
where:
Base-Base interactions energy: -28.111
where: short stacking energy: -24.069
Base-Backbone interact. energy: -0.091
local terms energy: -48.622978
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -217.527570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.527570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.527570 (E_RNA)
where:
Base-Base interactions energy: -132.286
where: short stacking energy: -73.843
Base-Backbone interact. energy: -0.654
local terms energy: -84.587337
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -21.467
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -222.900790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.900790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.900790 (E_RNA)
where:
Base-Base interactions energy: -142.030
where: short stacking energy: -80.353
Base-Backbone interact. energy: -0.052
local terms energy: -80.819402
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -194.325301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.325301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.325301 (E_RNA)
where:
Base-Base interactions energy: -111.122
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.003
local terms energy: -83.199630
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -168.654252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.654252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654252 (E_RNA)
where:
Base-Base interactions energy: -102.307
where: short stacking energy: -53.461
Base-Backbone interact. energy: -0.697
local terms energy: -65.650180
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -11.404
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: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -153.910886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.910886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.910886 (E_RNA)
where:
Base-Base interactions energy: -88.818
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.033
local terms energy: -65.059919
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -15.813
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: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -127.394563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.394563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.394563 (E_RNA)
where:
Base-Base interactions energy: -60.364
where: short stacking energy: -39.358
Base-Backbone interact. energy: -0.397
local terms energy: -66.633772
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -9.490
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: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -90.409706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409706 (E_RNA)
where:
Base-Base interactions energy: -30.114
where: short stacking energy: -23.148
Base-Backbone interact. energy: 0.614
local terms energy: -60.909399
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -123.295836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.295836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.295836 (E_RNA)
where:
Base-Base interactions energy: -72.351
where: short stacking energy: -38.687
Base-Backbone interact. energy: -0.095
local terms energy: -50.849681
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -6.899
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -86.327949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327949 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.353
local terms energy: -53.215656
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -4.616
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: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -79.712267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.712267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.712267 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -24.508
Base-Backbone interact. energy: 0.571
local terms energy: -47.211137
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: 3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -224.038627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.038627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.038627 (E_RNA)
where:
Base-Base interactions energy: -137.108
where: short stacking energy: -80.620
Base-Backbone interact. energy: -0.019
local terms energy: -86.911771
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -24.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -205.425635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.425635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.425635 (E_RNA)
where:
Base-Base interactions energy: -131.705
where: short stacking energy: -71.601
Base-Backbone interact. energy: -1.836
local terms energy: -71.884760
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -179.022682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.022682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.022682 (E_RNA)
where:
Base-Base interactions energy: -105.736
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.389
local terms energy: -72.898230
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -176.311643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.311643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.311643 (E_RNA)
where:
Base-Base interactions energy: -102.373
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.005
local terms energy: -73.933472
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -15.964
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: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -125.307320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.307320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.307320 (E_RNA)
where:
Base-Base interactions energy: -66.409
where: short stacking energy: -47.533
Base-Backbone interact. energy: -0.131
local terms energy: -58.766762
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.173
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: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -144.847557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.847557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.847557 (E_RNA)
where:
Base-Base interactions energy: -76.247
where: short stacking energy: -42.261
Base-Backbone interact. energy: -0.376
local terms energy: -68.224772
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -155.757277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.757277 (E_RNA)
where:
Base-Base interactions energy: -90.581
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.058
local terms energy: -65.118311
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -87.833167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.833167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.833167 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -35.875
Base-Backbone interact. energy: -0.048
local terms energy: -51.910834
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -6.435
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: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -84.523400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.523400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.523400 (E_RNA)
where:
Base-Base interactions energy: -29.096
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.194
local terms energy: -55.233337
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -82.060214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.060214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.060214 (E_RNA)
where:
Base-Base interactions energy: -31.592
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.271
local terms energy: -50.196577
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -0.789
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: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -207.977462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.977462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.977462 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -71.412
Base-Backbone interact. energy: -0.070
local terms energy: -84.403394
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -20.928
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: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -196.929597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.929597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.929597 (E_RNA)
where:
Base-Base interactions energy: -118.761
where: short stacking energy: -72.094
Base-Backbone interact. energy: 0.094
local terms energy: -78.262672
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -22.259
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -180.352593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.352593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.352593 (E_RNA)
where:
Base-Base interactions energy: -108.362
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.160
local terms energy: -71.830051
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -13.664
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: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -175.549198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.549198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.549198 (E_RNA)
where:
Base-Base interactions energy: -104.441
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.087
local terms energy: -71.021206
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -155.965398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.965398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.965398 (E_RNA)
where:
Base-Base interactions energy: -84.200
where: short stacking energy: -56.335
Base-Backbone interact. energy: -0.011
local terms energy: -71.754371
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -151.620625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.620625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.620625 (E_RNA)
where:
Base-Base interactions energy: -88.655
where: short stacking energy: -43.769
Base-Backbone interact. energy: -0.343
local terms energy: -62.623501
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -171.473792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.473792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.473792 (E_RNA)
where:
Base-Base interactions energy: -100.979
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.088
local terms energy: -70.406634
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -99.374417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.374417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.374417 (E_RNA)
where:
Base-Base interactions energy: -50.862
where: short stacking energy: -38.716
Base-Backbone interact. energy: -0.235
local terms energy: -48.278013
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -12.681
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: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -84.493517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.493517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.493517 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.220
local terms energy: -52.950467
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -7.281
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: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -82.040369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040369 (E_RNA)
where:
Base-Base interactions energy: -29.663
where: short stacking energy: -28.331
Base-Backbone interact. energy: -0.150
local terms energy: -52.226727
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -210.983709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.983709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.983709 (E_RNA)
where:
Base-Base interactions energy: -130.936
where: short stacking energy: -71.850
Base-Backbone interact. energy: -0.924
local terms energy: -79.124027
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -198.387146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.387146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.387146 (E_RNA)
where:
Base-Base interactions energy: -121.100
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.022
local terms energy: -77.264621
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -16.469
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: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -185.208064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.208064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.208064 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -64.128
Base-Backbone interact. energy: -0.223
local terms energy: -67.739774
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -161.249340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.249340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.249340 (E_RNA)
where:
Base-Base interactions energy: -94.678
where: short stacking energy: -47.648
Base-Backbone interact. energy: -0.321
local terms energy: -66.250199
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -164.475508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.475508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.475508 (E_RNA)
where:
Base-Base interactions energy: -93.877
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.029
local terms energy: -70.569321
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -176.494243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.494243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.494243 (E_RNA)
where:
Base-Base interactions energy: -106.988
where: short stacking energy: -65.220
Base-Backbone interact. energy: -0.098
local terms energy: -69.408422
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -17.293
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -155.935770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.935770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.935770 (E_RNA)
where:
Base-Base interactions energy: -84.794
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.305
local terms energy: -70.836296
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -104.153246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.153246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.153246 (E_RNA)
where:
Base-Base interactions energy: -51.664
where: short stacking energy: -38.870
Base-Backbone interact. energy: -0.093
local terms energy: -52.396764
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -4.379
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: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -91.963872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963872 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.076
local terms energy: -57.757468
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -9.463
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: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -89.379033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.379033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.379033 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.212
local terms energy: -55.534586
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -10.261
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: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -221.864309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.864309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.864309 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -79.765
Base-Backbone interact. energy: -0.009
local terms energy: -82.390425
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -199.320468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320468 (E_RNA)
where:
Base-Base interactions energy: -128.173
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.091
local terms energy: -71.056051
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -175.910919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.910919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.910919 (E_RNA)
where:
Base-Base interactions energy: -98.966
where: short stacking energy: -64.477
Base-Backbone interact. energy: -0.060
local terms energy: -76.885436
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -164.049574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.049574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.049574 (E_RNA)
where:
Base-Base interactions energy: -96.472
where: short stacking energy: -52.330
Base-Backbone interact. energy: -0.076
local terms energy: -67.501916
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -166.747846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.747846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.747846 (E_RNA)
where:
Base-Base interactions energy: -95.430
where: short stacking energy: -53.867
Base-Backbone interact. energy: 0.188
local terms energy: -71.505663
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.447
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: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -187.291425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.291425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.291425 (E_RNA)
where:
Base-Base interactions energy: -111.649
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.124
local terms energy: -75.518045
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -157.153421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.153421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.153421 (E_RNA)
where:
Base-Base interactions energy: -89.529
where: short stacking energy: -51.692
Base-Backbone interact. energy: -0.169
local terms energy: -67.455698
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -85.000112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.000112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.000112 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -31.073
Base-Backbone interact. energy: -0.738
local terms energy: -51.689093
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -85.346557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346557 (E_RNA)
where:
Base-Base interactions energy: -30.159
where: short stacking energy: -30.228
Base-Backbone interact. energy: -0.326
local terms energy: -54.861165
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -86.603186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603186 (E_RNA)
where:
Base-Base interactions energy: -37.572
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.140
local terms energy: -48.891228
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -215.579030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.579030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.579030 (E_RNA)
where:
Base-Base interactions energy: -143.631
where: short stacking energy: -79.432
Base-Backbone interact. energy: -0.006
local terms energy: -71.941716
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -222.861304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.861304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.861304 (E_RNA)
where:
Base-Base interactions energy: -132.824
where: short stacking energy: -81.294
Base-Backbone interact. energy: -0.393
local terms energy: -89.644737
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -184.861390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.861390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.861390 (E_RNA)
where:
Base-Base interactions energy: -105.010
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.033
local terms energy: -79.818372
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -176.191694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.191694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.191694 (E_RNA)
where:
Base-Base interactions energy: -103.414
where: short stacking energy: -57.177
Base-Backbone interact. energy: -0.209
local terms energy: -72.568316
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -174.478943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.478943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.478943 (E_RNA)
where:
Base-Base interactions energy: -104.581
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.424
local terms energy: -69.473399
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -14.031
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: 412
Temperature: 1.150000
Total energy: -184.587880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.587880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.587880 (E_RNA)
where:
Base-Base interactions energy: -116.349
where: short stacking energy: -64.208
Base-Backbone interact. energy: 0.657
local terms energy: -68.895771
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -17.511
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: 412
Temperature: 1.200000
Total energy: -103.818274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.818274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.818274 (E_RNA)
where:
Base-Base interactions energy: -40.206
where: short stacking energy: -36.759
Base-Backbone interact. energy: 0.032
local terms energy: -63.644221
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.017
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: 412
Temperature: 1.250000
Total energy: -145.545502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.545502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.545502 (E_RNA)
where:
Base-Base interactions energy: -87.768
where: short stacking energy: -43.292
Base-Backbone interact. energy: -0.143
local terms energy: -57.634604
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -10.904
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: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -88.818222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.818222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.818222 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -26.268
Base-Backbone interact. energy: 0.078
local terms energy: -49.463377
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -85.523835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.523835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.523835 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.035
local terms energy: -48.528854
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -213.897726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.897726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.897726 (E_RNA)
where:
Base-Base interactions energy: -128.939
where: short stacking energy: -76.429
Base-Backbone interact. energy: -0.092
local terms energy: -84.867016
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -213.398059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.398059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.398059 (E_RNA)
where:
Base-Base interactions energy: -139.699
where: short stacking energy: -84.190
Base-Backbone interact. energy: -0.024
local terms energy: -73.674411
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -182.503953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.503953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.503953 (E_RNA)
where:
Base-Base interactions energy: -107.063
where: short stacking energy: -63.294
Base-Backbone interact. energy: -0.041
local terms energy: -75.399864
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -16.123
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -176.349379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.349379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.349379 (E_RNA)
where:
Base-Base interactions energy: -104.542
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.033
local terms energy: -71.773802
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -166.583036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.583036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.583036 (E_RNA)
where:
Base-Base interactions energy: -97.378
where: short stacking energy: -52.640
Base-Backbone interact. energy: -0.592
local terms energy: -68.612266
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -13.639
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: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -173.988143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.988143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.988143 (E_RNA)
where:
Base-Base interactions energy: -110.468
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.054
local terms energy: -63.465703
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -98.841762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.841762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.841762 (E_RNA)
where:
Base-Base interactions energy: -40.591
where: short stacking energy: -32.184
Base-Backbone interact. energy: -0.222
local terms energy: -58.028342
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -9.193
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: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -109.834327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.834327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.834327 (E_RNA)
where:
Base-Base interactions energy: -55.895
where: short stacking energy: -40.379
Base-Backbone interact. energy: -0.296
local terms energy: -53.643497
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -103.909101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909101 (E_RNA)
where:
Base-Base interactions energy: -58.973
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.106
local terms energy: -44.829596
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -89.758433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.758433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.758433 (E_RNA)
where:
Base-Base interactions energy: -32.047
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.086
local terms energy: -57.625900
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -214.990220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.990220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.990220 (E_RNA)
where:
Base-Base interactions energy: -137.766
where: short stacking energy: -78.557
Base-Backbone interact. energy: -2.430
local terms energy: -74.794466
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -23.472
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: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -212.577192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.577192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.577192 (E_RNA)
where:
Base-Base interactions energy: -132.610
where: short stacking energy: -75.331
Base-Backbone interact. energy: -0.612
local terms energy: -79.355360
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -184.364001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.364001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.364001 (E_RNA)
where:
Base-Base interactions energy: -107.933
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.073
local terms energy: -76.358283
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -159.057732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.057732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.057732 (E_RNA)
where:
Base-Base interactions energy: -88.381
where: short stacking energy: -48.928
Base-Backbone interact. energy: -1.125
local terms energy: -69.552616
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -173.524772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.524772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.524772 (E_RNA)
where:
Base-Base interactions energy: -103.132
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.046
local terms energy: -70.347194
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -12.994
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: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -165.205434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.205434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.205434 (E_RNA)
where:
Base-Base interactions energy: -98.886
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.010
local terms energy: -66.309438
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -13.072
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: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -105.409235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.409235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.409235 (E_RNA)
where:
Base-Base interactions energy: -41.587
where: short stacking energy: -41.587
Base-Backbone interact. energy: -0.112
local terms energy: -63.709860
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -92.054346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054346 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.193
local terms energy: -56.858175
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -88.562403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.562403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.562403 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -31.965
Base-Backbone interact. energy: -0.073
local terms energy: -56.524263
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -84.345236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.345236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.345236 (E_RNA)
where:
Base-Base interactions energy: -36.469
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.115
local terms energy: -47.760774
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -8.707
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: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -215.140082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.140082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.140082 (E_RNA)
where:
Base-Base interactions energy: -135.599
where: short stacking energy: -79.227
Base-Backbone interact. energy: -0.146
local terms energy: -79.395103
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -211.021663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.021663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.021663 (E_RNA)
where:
Base-Base interactions energy: -136.945
where: short stacking energy: -77.926
Base-Backbone interact. energy: -1.365
local terms energy: -72.712100
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -182.564888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.564888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.564888 (E_RNA)
where:
Base-Base interactions energy: -115.404
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.024
local terms energy: -67.136773
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -173.913094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.913094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.913094 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.090
local terms energy: -71.078477
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.605
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: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -154.458224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.458224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.458224 (E_RNA)
where:
Base-Base interactions energy: -96.715
where: short stacking energy: -49.547
Base-Backbone interact. energy: -0.160
local terms energy: -57.583002
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -147.466551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.466551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.466551 (E_RNA)
where:
Base-Base interactions energy: -89.911
where: short stacking energy: -46.254
Base-Backbone interact. energy: -0.206
local terms energy: -57.350046
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -105.244654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.244654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.244654 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.073
local terms energy: -62.283847
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -87.078663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.078663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.078663 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -22.280
Base-Backbone interact. energy: -0.398
local terms energy: -50.038653
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: 1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -74.020367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.020367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.020367 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -19.254
Base-Backbone interact. energy: 0.669
local terms energy: -47.235857
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -77.868111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.868111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.868111 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -22.184
Base-Backbone interact. energy: -0.033
local terms energy: -42.186545
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: 1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -222.899090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.899090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.899090 (E_RNA)
where:
Base-Base interactions energy: -143.413
where: short stacking energy: -81.049
Base-Backbone interact. energy: -0.001
local terms energy: -79.484931
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -217.250783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.250783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.250783 (E_RNA)
where:
Base-Base interactions energy: -132.706
where: short stacking energy: -79.899
Base-Backbone interact. energy: -0.045
local terms energy: -84.499685
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -194.593980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.593980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.593980 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.037
local terms energy: -78.370200
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -189.037543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.037543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.037543 (E_RNA)
where:
Base-Base interactions energy: -108.823
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.077
local terms energy: -80.138398
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -154.425599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.425599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.425599 (E_RNA)
where:
Base-Base interactions energy: -91.603
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.419
local terms energy: -62.402817
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -9.421
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: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -155.030622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.030622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.030622 (E_RNA)
where:
Base-Base interactions energy: -89.247
where: short stacking energy: -49.060
Base-Backbone interact. energy: 0.198
local terms energy: -65.981480
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -102.408995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.408995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.408995 (E_RNA)
where:
Base-Base interactions energy: -38.951
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.546
local terms energy: -62.912370
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.469
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: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -94.947882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.947882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.947882 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -28.269
Base-Backbone interact. energy: 0.765
local terms energy: -58.868125
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -98.857663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.857663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.857663 (E_RNA)
where:
Base-Base interactions energy: -47.057
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.314
local terms energy: -51.486547
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -74.347086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.347086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.347086 (E_RNA)
where:
Base-Base interactions energy: -20.199
where: short stacking energy: -20.199
Base-Backbone interact. energy: -0.087
local terms energy: -54.060499
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -223.278054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.278054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.278054 (E_RNA)
where:
Base-Base interactions energy: -134.587
where: short stacking energy: -77.408
Base-Backbone interact. energy: -0.006
local terms energy: -88.685450
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -26.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -209.988416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.988416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.988416 (E_RNA)
where:
Base-Base interactions energy: -126.571
where: short stacking energy: -75.843
Base-Backbone interact. energy: -0.081
local terms energy: -83.337037
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -195.735491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.735491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.735491 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -66.018
Base-Backbone interact. energy: -0.010
local terms energy: -64.318443
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -15.814
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: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -159.014127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.014127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.014127 (E_RNA)
where:
Base-Base interactions energy: -101.038
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.130
local terms energy: -57.845881
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -180.877820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.877820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.877820 (E_RNA)
where:
Base-Base interactions energy: -107.905
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.034
local terms energy: -72.938562
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -137.274263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.274263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.274263 (E_RNA)
where:
Base-Base interactions energy: -71.484
where: short stacking energy: -46.335
Base-Backbone interact. energy: -0.420
local terms energy: -65.370309
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -11.841
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: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -139.883743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.883743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.883743 (E_RNA)
where:
Base-Base interactions energy: -77.820
where: short stacking energy: -39.754
Base-Backbone interact. energy: 0.333
local terms energy: -62.397084
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -102.110168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.110168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.110168 (E_RNA)
where:
Base-Base interactions energy: -48.204
where: short stacking energy: -39.914
Base-Backbone interact. energy: -0.087
local terms energy: -53.818850
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -89.088176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.088176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.088176 (E_RNA)
where:
Base-Base interactions energy: -35.151
where: short stacking energy: -35.151
Base-Backbone interact. energy: -0.044
local terms energy: -53.893280
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -84.779602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.779602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.779602 (E_RNA)
where:
Base-Base interactions energy: -29.658
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.036
local terms energy: -55.085361
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -214.186217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.186217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.186217 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -81.548
Base-Backbone interact. energy: -0.065
local terms energy: -82.835340
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -209.363854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.363854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.363854 (E_RNA)
where:
Base-Base interactions energy: -132.217
where: short stacking energy: -70.933
Base-Backbone interact. energy: -0.042
local terms energy: -77.104116
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -200.950714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.950714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.950714 (E_RNA)
where:
Base-Base interactions energy: -123.543
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.010
local terms energy: -77.397736
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -166.274212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.274212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.274212 (E_RNA)
where:
Base-Base interactions energy: -101.107
where: short stacking energy: -60.894
Base-Backbone interact. energy: -0.167
local terms energy: -65.000116
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -150.549846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.549846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.549846 (E_RNA)
where:
Base-Base interactions energy: -83.855
where: short stacking energy: -54.497
Base-Backbone interact. energy: -0.914
local terms energy: -65.780677
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -7.964
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: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -170.232747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.232747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.232747 (E_RNA)
where:
Base-Base interactions energy: -103.601
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.151
local terms energy: -66.481360
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -10.211
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: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -132.638671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.638671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.638671 (E_RNA)
where:
Base-Base interactions energy: -66.335
where: short stacking energy: -38.861
Base-Backbone interact. energy: 0.938
local terms energy: -67.241876
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.696
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: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -78.708386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.708386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.708386 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.139
local terms energy: -45.753171
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -4.748
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: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -86.295757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.295757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.295757 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.368
local terms energy: -54.993624
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -101.190621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.190621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.190621 (E_RNA)
where:
Base-Base interactions energy: -40.157
where: short stacking energy: -35.079
Base-Backbone interact. energy: -0.064
local terms energy: -60.969840
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.159
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: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -220.912532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.912532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.912532 (E_RNA)
where:
Base-Base interactions energy: -135.430
where: short stacking energy: -81.874
Base-Backbone interact. energy: -0.004
local terms energy: -85.478886
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -207.889602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.889602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.889602 (E_RNA)
where:
Base-Base interactions energy: -128.711
where: short stacking energy: -69.322
Base-Backbone interact. energy: -0.001
local terms energy: -79.177512
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -19.313
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: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -216.792098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.792098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792098 (E_RNA)
where:
Base-Base interactions energy: -134.436
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.055
local terms energy: -82.301278
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -163.944275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.944275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.944275 (E_RNA)
where:
Base-Base interactions energy: -86.928
where: short stacking energy: -62.187
Base-Backbone interact. energy: -0.023
local terms energy: -76.993585
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -143.189729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.189729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.189729 (E_RNA)
where:
Base-Base interactions energy: -81.494
where: short stacking energy: -42.977
Base-Backbone interact. energy: -0.409
local terms energy: -61.286476
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -132.935413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.935413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.935413 (E_RNA)
where:
Base-Base interactions energy: -75.947
where: short stacking energy: -40.223
Base-Backbone interact. energy: -0.715
local terms energy: -56.273573
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.910
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: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -137.148028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.148028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.148028 (E_RNA)
where:
Base-Base interactions energy: -79.414
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.201
local terms energy: -57.533174
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -97.104777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.104777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.104777 (E_RNA)
where:
Base-Base interactions energy: -43.729
where: short stacking energy: -35.804
Base-Backbone interact. energy: -0.110
local terms energy: -53.266043
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -95.583913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.583913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.583913 (E_RNA)
where:
Base-Base interactions energy: -42.041
where: short stacking energy: -34.860
Base-Backbone interact. energy: -0.079
local terms energy: -53.464343
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -6.946
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: 419
Temperature: 1.350000
Total energy: -80.489078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.489078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.489078 (E_RNA)
where:
Base-Base interactions energy: -32.414
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.402
local terms energy: -47.673955
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -8.436
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: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -221.857489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857489 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -78.156
Base-Backbone interact. energy: 0.459
local terms energy: -83.162974
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -21.558
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -184.998323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.998323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.998323 (E_RNA)
where:
Base-Base interactions energy: -112.759
where: short stacking energy: -47.038
Base-Backbone interact. energy: -0.045
local terms energy: -72.194841
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -13.539
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: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -203.177463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.177463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.177463 (E_RNA)
where:
Base-Base interactions energy: -124.849
where: short stacking energy: -69.880
Base-Backbone interact. energy: 0.467
local terms energy: -78.795268
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -23.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -173.219830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.219830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.219830 (E_RNA)
where:
Base-Base interactions energy: -99.930
where: short stacking energy: -60.846
Base-Backbone interact. energy: -0.263
local terms energy: -73.027019
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -142.609726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.609726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.609726 (E_RNA)
where:
Base-Base interactions energy: -76.806
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.696
local terms energy: -65.108172
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -10.989
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: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -148.649999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.649999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.649999 (E_RNA)
where:
Base-Base interactions energy: -88.897
where: short stacking energy: -47.925
Base-Backbone interact. energy: 0.724
local terms energy: -60.477725
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -4.238
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: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -120.096706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.096706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.096706 (E_RNA)
where:
Base-Base interactions energy: -61.209
where: short stacking energy: -38.588
Base-Backbone interact. energy: 0.112
local terms energy: -58.999429
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.001
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -93.361863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.361863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.361863 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -31.188
Base-Backbone interact. energy: -0.172
local terms energy: -59.404504
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -9.355
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: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -90.082014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.082014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.082014 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -38.603
Base-Backbone interact. energy: -0.369
local terms energy: -51.109568
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -6.039
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: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -81.527936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527936 (E_RNA)
where:
Base-Base interactions energy: -26.853
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.311
local terms energy: -54.364588
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -205.601385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.601385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.601385 (E_RNA)
where:
Base-Base interactions energy: -122.936
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.319
local terms energy: -82.346046
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -209.828664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.828664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.828664 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -84.827
Base-Backbone interact. energy: -0.001
local terms energy: -76.943717
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -189.278246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.278246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.278246 (E_RNA)
where:
Base-Base interactions energy: -119.883
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.258
local terms energy: -69.137839
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -186.802987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.802987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.802987 (E_RNA)
where:
Base-Base interactions energy: -118.177
where: short stacking energy: -62.174
Base-Backbone interact. energy: -0.290
local terms energy: -68.336173
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -144.987885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.987885 (E_RNA)
where:
Base-Base interactions energy: -78.264
where: short stacking energy: -58.522
Base-Backbone interact. energy: 0.548
local terms energy: -67.271889
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.085
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: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -159.637710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.637710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.637710 (E_RNA)
where:
Base-Base interactions energy: -95.772
where: short stacking energy: -56.227
Base-Backbone interact. energy: -0.145
local terms energy: -63.719998
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -84.498624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.498624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.498624 (E_RNA)
where:
Base-Base interactions energy: -32.386
where: short stacking energy: -27.871
Base-Backbone interact. energy: 0.259
local terms energy: -52.370974
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -84.179171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.179171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.179171 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.121
local terms energy: -54.779484
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -100.492119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.492119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.492119 (E_RNA)
where:
Base-Base interactions energy: -42.029
where: short stacking energy: -42.029
Base-Backbone interact. energy: -0.019
local terms energy: -58.444053
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -12.324
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: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -88.658159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.658159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.658159 (E_RNA)
where:
Base-Base interactions energy: -32.148
where: short stacking energy: -32.148
Base-Backbone interact. energy: 0.337
local terms energy: -56.847282
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -218.582330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.582330 (E_RNA)
where:
Base-Base interactions energy: -133.424
where: short stacking energy: -84.514
Base-Backbone interact. energy: -1.082
local terms energy: -84.076444
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -25.277
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: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -206.870213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.870213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.870213 (E_RNA)
where:
Base-Base interactions energy: -128.117
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.014
local terms energy: -78.738737
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -177.580882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.580882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.580882 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.078
local terms energy: -58.411109
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -13.682
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: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -184.960407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.960407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.960407 (E_RNA)
where:
Base-Base interactions energy: -113.639
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.207
local terms energy: -71.114082
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.121
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: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -160.988431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.988431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.988431 (E_RNA)
where:
Base-Base interactions energy: -102.096
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.117
local terms energy: -58.776269
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -146.890247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.890247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.890247 (E_RNA)
where:
Base-Base interactions energy: -84.612
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.009
local terms energy: -62.269815
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.285
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: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -104.822485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.822485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.822485 (E_RNA)
where:
Base-Base interactions energy: -37.062
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.413
local terms energy: -67.347994
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -101.401855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.401855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.401855 (E_RNA)
where:
Base-Base interactions energy: -47.958
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.032
local terms energy: -53.411874
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -96.443401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.443401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.443401 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.016
local terms energy: -60.639878
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -81.574882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.574882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.574882 (E_RNA)
where:
Base-Base interactions energy: -28.898
where: short stacking energy: -24.832
Base-Backbone interact. energy: 1.086
local terms energy: -53.763165
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -216.729844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.729844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.729844 (E_RNA)
where:
Base-Base interactions energy: -132.389
where: short stacking energy: -77.195
Base-Backbone interact. energy: -0.021
local terms energy: -84.320148
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -24.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -205.664776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.664776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.664776 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.143
local terms energy: -77.368356
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -18.814
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -179.930325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.930325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.930325 (E_RNA)
where:
Base-Base interactions energy: -112.076
where: short stacking energy: -52.110
Base-Backbone interact. energy: -0.060
local terms energy: -67.794759
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -6.621
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -182.456028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.456028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.456028 (E_RNA)
where:
Base-Base interactions energy: -108.534
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.016
local terms energy: -73.906091
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -192.575843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575843 (E_RNA)
where:
Base-Base interactions energy: -120.354
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.031
local terms energy: -72.190818
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -100.673243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.673243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.673243 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -38.469
Base-Backbone interact. energy: -0.209
local terms energy: -59.638326
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -144.890298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.890298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.890298 (E_RNA)
where:
Base-Base interactions energy: -81.194
where: short stacking energy: -41.615
Base-Backbone interact. energy: -0.012
local terms energy: -63.684210
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.316
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: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -82.241718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.241718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.241718 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -31.087
Base-Backbone interact. energy: -0.011
local terms energy: -51.144525
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -87.024799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.024799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.024799 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -29.498
Base-Backbone interact. energy: -0.188
local terms energy: -57.338195
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -9.210
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: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -86.701126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.701126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.701126 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -32.325
Base-Backbone interact. energy: -0.058
local terms energy: -52.951849
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.839
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: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -224.652934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.652934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652934 (E_RNA)
where:
Base-Base interactions energy: -139.751
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.005
local terms energy: -84.896900
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -24.672
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -210.697842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.697842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.697842 (E_RNA)
where:
Base-Base interactions energy: -130.528
where: short stacking energy: -75.065
Base-Backbone interact. energy: -1.904
local terms energy: -78.265788
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -22.551
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: 424
Temperature: 1.000000
Total energy: -177.807312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.807312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.807312 (E_RNA)
where:
Base-Base interactions energy: -106.120
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.013
local terms energy: -71.674747
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -170.325705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.325705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.325705 (E_RNA)
where:
Base-Base interactions energy: -109.671
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.506
local terms energy: -60.149328
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -11.913
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -176.934115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.934115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.934115 (E_RNA)
where:
Base-Base interactions energy: -113.950
where: short stacking energy: -54.292
Base-Backbone interact. energy: -0.048
local terms energy: -62.936478
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -7.028
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: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -107.343190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.343190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.343190 (E_RNA)
where:
Base-Base interactions energy: -57.518
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.182
local terms energy: -49.643266
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.755
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: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -143.317232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.317232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.317232 (E_RNA)
where:
Base-Base interactions energy: -83.948
where: short stacking energy: -49.599
Base-Backbone interact. energy: 0.283
local terms energy: -59.652080
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -8.851
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: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -83.908089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908089 (E_RNA)
where:
Base-Base interactions energy: -34.119
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.133
local terms energy: -49.655822
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -79.229773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229773 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -30.701
Base-Backbone interact. energy: 0.220
local terms energy: -48.747871
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -82.084758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.084758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.084758 (E_RNA)
where:
Base-Base interactions energy: -27.056
where: short stacking energy: -27.056
Base-Backbone interact. energy: -0.229
local terms energy: -54.799541
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -219.273347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.273347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.273347 (E_RNA)
where:
Base-Base interactions energy: -133.026
where: short stacking energy: -77.465
Base-Backbone interact. energy: -0.007
local terms energy: -86.240251
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -25.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -213.301028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.301028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.301028 (E_RNA)
where:
Base-Base interactions energy: -128.624
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.101
local terms energy: -84.575545
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -180.172911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.172911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.172911 (E_RNA)
where:
Base-Base interactions energy: -115.758
where: short stacking energy: -69.512
Base-Backbone interact. energy: -1.061
local terms energy: -63.354292
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -15.604
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: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -179.307215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.307215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.307215 (E_RNA)
where:
Base-Base interactions energy: -113.997
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.144
local terms energy: -65.166972
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.757
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: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -162.241299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.241299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.241299 (E_RNA)
where:
Base-Base interactions energy: -100.860
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.176
local terms energy: -61.205256
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -108.766546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.766546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.766546 (E_RNA)
where:
Base-Base interactions energy: -55.317
where: short stacking energy: -50.458
Base-Backbone interact. energy: 0.579
local terms energy: -54.028784
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -5.903
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: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -98.773535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.773535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.773535 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -45.159
Base-Backbone interact. energy: -0.113
local terms energy: -53.501417
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -83.902469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902469 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -33.257
Base-Backbone interact. energy: -0.362
local terms energy: -50.283308
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -5.015
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: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -92.797141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797141 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -34.421
Base-Backbone interact. energy: 0.850
local terms energy: -59.226614
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -5.887
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: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -79.696508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.696508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.696508 (E_RNA)
where:
Base-Base interactions energy: -29.670
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.049
local terms energy: -49.977279
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -212.509159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.509159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.509159 (E_RNA)
where:
Base-Base interactions energy: -132.129
where: short stacking energy: -76.209
Base-Backbone interact. energy: -0.005
local terms energy: -80.374611
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -208.472547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.472547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.472547 (E_RNA)
where:
Base-Base interactions energy: -123.098
where: short stacking energy: -77.740
Base-Backbone interact. energy: -0.005
local terms energy: -85.370195
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -22.513
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: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -198.438135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.438135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.438135 (E_RNA)
where:
Base-Base interactions energy: -118.433
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.024
local terms energy: -79.981142
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -171.898586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.898586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.898586 (E_RNA)
where:
Base-Base interactions energy: -98.672
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.076
local terms energy: -73.151150
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -178.455113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.455113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.455113 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.017
local terms energy: -64.806210
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -18.161
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: 426
Temperature: 1.150000
Total energy: -168.866086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.866086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.866086 (E_RNA)
where:
Base-Base interactions energy: -96.902
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.556
local terms energy: -71.407389
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -98.175105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.175105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.175105 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -33.665
Base-Backbone interact. energy: -0.091
local terms energy: -59.481271
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -7.722
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: 426
Temperature: 1.250000
Total energy: -103.311758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311758 (E_RNA)
where:
Base-Base interactions energy: -42.436
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.238
local terms energy: -60.637839
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.692
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: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -79.379406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.379406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.379406 (E_RNA)
where:
Base-Base interactions energy: -26.091
where: short stacking energy: -26.091
Base-Backbone interact. energy: -0.350
local terms energy: -52.937842
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: 2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -89.754243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.754243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.754243 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.102
local terms energy: -53.662317
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -204.932885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.932885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.932885 (E_RNA)
where:
Base-Base interactions energy: -129.050
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.139
local terms energy: -75.743760
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -205.005699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.005699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.005699 (E_RNA)
where:
Base-Base interactions energy: -126.856
where: short stacking energy: -72.898
Base-Backbone interact. energy: -0.290
local terms energy: -77.859804
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -204.610078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.610078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.610078 (E_RNA)
where:
Base-Base interactions energy: -129.001
where: short stacking energy: -80.218
Base-Backbone interact. energy: -0.004
local terms energy: -75.604987
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -21.816
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: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -195.334081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.334081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.334081 (E_RNA)
where:
Base-Base interactions energy: -117.543
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.096
local terms energy: -77.695430
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -172.659074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.659074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.659074 (E_RNA)
where:
Base-Base interactions energy: -104.287
where: short stacking energy: -63.754
Base-Backbone interact. energy: -0.673
local terms energy: -67.699211
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -10.905
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: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -161.264713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.264713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.264713 (E_RNA)
where:
Base-Base interactions energy: -93.596
where: short stacking energy: -48.537
Base-Backbone interact. energy: 1.063
local terms energy: -68.731806
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -108.422915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.422915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.422915 (E_RNA)
where:
Base-Base interactions energy: -47.047
where: short stacking energy: -47.047
Base-Backbone interact. energy: 0.756
local terms energy: -62.132344
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -13.381
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: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -84.954877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.954877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.954877 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -34.062
Base-Backbone interact. energy: -0.276
local terms energy: -44.929916
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -82.244336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.244336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.244336 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -37.179
Base-Backbone interact. energy: -0.223
local terms energy: -43.797438
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -89.239317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239317 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -36.280
Base-Backbone interact. energy: -0.130
local terms energy: -52.830149
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -225.347162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.347162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.347162 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -86.143
Base-Backbone interact. energy: -0.050
local terms energy: -86.191258
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -208.622924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.622924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.622924 (E_RNA)
where:
Base-Base interactions energy: -129.614
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.069
local terms energy: -78.939876
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -19.649
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: 428
Temperature: 1.000000
Total energy: -201.007812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.007812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.007812 (E_RNA)
where:
Base-Base interactions energy: -130.715
where: short stacking energy: -71.591
Base-Backbone interact. energy: -0.006
local terms energy: -70.286523
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -196.700129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.700129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.700129 (E_RNA)
where:
Base-Base interactions energy: -124.710
where: short stacking energy: -68.721
Base-Backbone interact. energy: -0.001
local terms energy: -71.989623
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -163.775550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.775550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.775550 (E_RNA)
where:
Base-Base interactions energy: -107.207
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.145
local terms energy: -56.423688
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -2.131
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: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -168.071807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.071807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.071807 (E_RNA)
where:
Base-Base interactions energy: -99.471
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.182
local terms energy: -68.418894
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -99.007345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007345 (E_RNA)
where:
Base-Base interactions energy: -40.710
where: short stacking energy: -40.710
Base-Backbone interact. energy: -0.012
local terms energy: -58.286008
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -9.524
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: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -98.693575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.693575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.693575 (E_RNA)
where:
Base-Base interactions energy: -40.560
where: short stacking energy: -25.729
Base-Backbone interact. energy: -1.065
local terms energy: -57.068439
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -89.783051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.783051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.783051 (E_RNA)
where:
Base-Base interactions energy: -30.185
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.247
local terms energy: -59.350655
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -82.539179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.539179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.539179 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -29.603
Base-Backbone interact. energy: -0.283
local terms energy: -52.653364
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.266
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: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -216.788493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.788493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.788493 (E_RNA)
where:
Base-Base interactions energy: -131.167
where: short stacking energy: -77.948
Base-Backbone interact. energy: -0.001
local terms energy: -85.619733
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -217.883098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.883098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.883098 (E_RNA)
where:
Base-Base interactions energy: -137.172
where: short stacking energy: -81.441
Base-Backbone interact. energy: -0.029
local terms energy: -80.682262
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -197.958938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.958938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.958938 (E_RNA)
where:
Base-Base interactions energy: -126.012
where: short stacking energy: -71.479
Base-Backbone interact. energy: -0.065
local terms energy: -71.882260
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -13.817
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: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -187.455013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.455013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.455013 (E_RNA)
where:
Base-Base interactions energy: -109.000
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.017
local terms energy: -78.437970
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -188.757274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.757274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.757274 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.004
local terms energy: -71.186459
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -7.623
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: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -154.808666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.808666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.808666 (E_RNA)
where:
Base-Base interactions energy: -96.356
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.013
local terms energy: -58.440504
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -9.631
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: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -85.167933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.167933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.167933 (E_RNA)
where:
Base-Base interactions energy: -26.676
where: short stacking energy: -26.676
Base-Backbone interact. energy: 0.307
local terms energy: -58.798516
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -13.054
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: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -87.006079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.006079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.006079 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -36.801
Base-Backbone interact. energy: -0.115
local terms energy: -50.090404
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -103.470400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.470400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.470400 (E_RNA)
where:
Base-Base interactions energy: -43.966
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.346
local terms energy: -59.158239
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -71.759991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.759991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.759991 (E_RNA)
where:
Base-Base interactions energy: -20.572
where: short stacking energy: -18.974
Base-Backbone interact. energy: 0.501
local terms energy: -51.688841
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -218.963112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.963112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.963112 (E_RNA)
where:
Base-Base interactions energy: -134.230
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.055
local terms energy: -84.678357
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -21.428
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: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -218.247001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.247001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.247001 (E_RNA)
where:
Base-Base interactions energy: -129.878
where: short stacking energy: -79.889
Base-Backbone interact. energy: -0.226
local terms energy: -88.142614
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -191.649416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.649416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.649416 (E_RNA)
where:
Base-Base interactions energy: -117.335
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.007
local terms energy: -74.307500
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -195.868866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.868866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.868866 (E_RNA)
where:
Base-Base interactions energy: -118.304
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.084
local terms energy: -77.481392
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -17.196
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: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -197.492872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.492872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.492872 (E_RNA)
where:
Base-Base interactions energy: -124.326
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.040
local terms energy: -73.126512
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -146.558431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.558431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.558431 (E_RNA)
where:
Base-Base interactions energy: -87.742
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.070
local terms energy: -58.746086
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -7.665
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: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -94.020694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.020694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.020694 (E_RNA)
where:
Base-Base interactions energy: -32.142
where: short stacking energy: -31.287
Base-Backbone interact. energy: -0.016
local terms energy: -61.862648
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -81.851591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.851591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.851591 (E_RNA)
where:
Base-Base interactions energy: -36.493
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.505
local terms energy: -44.852783
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -79.635490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.635490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.635490 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.082
local terms energy: -50.412282
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -7.577
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: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -85.787104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787104 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.318
local terms energy: -51.423661
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -2.246
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: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -223.546177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.546177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.546177 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -74.173
Base-Backbone interact. energy: -2.799
local terms energy: -87.007508
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -224.747776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.747776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.747776 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -83.992
Base-Backbone interact. energy: 1.037
local terms energy: -87.031278
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -180.266321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.266321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.266321 (E_RNA)
where:
Base-Base interactions energy: -114.786
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.028
local terms energy: -65.452520
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -203.190780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.190780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.190780 (E_RNA)
where:
Base-Base interactions energy: -126.934
where: short stacking energy: -74.011
Base-Backbone interact. energy: -0.012
local terms energy: -76.244233
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -180.194889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.194889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.194889 (E_RNA)
where:
Base-Base interactions energy: -114.657
where: short stacking energy: -59.783
Base-Backbone interact. energy: 1.574
local terms energy: -67.111857
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -8.475
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: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -139.632659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.632659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.632659 (E_RNA)
where:
Base-Base interactions energy: -76.851
where: short stacking energy: -41.441
Base-Backbone interact. energy: -0.649
local terms energy: -62.133349
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -90.409968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409968 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -27.823
Base-Backbone interact. energy: -0.089
local terms energy: -62.497664
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.898
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: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -95.717410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.717410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.717410 (E_RNA)
where:
Base-Base interactions energy: -44.094
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.006
local terms energy: -51.617394
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -75.321933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321933 (E_RNA)
where:
Base-Base interactions energy: -29.370
where: short stacking energy: -29.370
Base-Backbone interact. energy: -0.169
local terms energy: -45.782724
where:
bonds (distance) C4'-P energy: -5.660
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -86.915073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915073 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.322
local terms energy: -48.339977
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -213.895261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.895261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.895261 (E_RNA)
where:
Base-Base interactions energy: -128.737
where: short stacking energy: -82.620
Base-Backbone interact. energy: -0.013
local terms energy: -85.144678
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -208.998789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.998789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.998789 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.085
local terms energy: -79.756297
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -205.894355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.894355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.894355 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.017
local terms energy: -82.437105
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -164.957358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.957358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.957358 (E_RNA)
where:
Base-Base interactions energy: -92.566
where: short stacking energy: -51.334
Base-Backbone interact. energy: -0.067
local terms energy: -72.323918
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -186.909065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.909065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.909065 (E_RNA)
where:
Base-Base interactions energy: -111.759
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.109
local terms energy: -75.041048
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -158.770817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.770817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.770817 (E_RNA)
where:
Base-Base interactions energy: -89.841
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.102
local terms energy: -68.827842
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -99.775218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.775218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.775218 (E_RNA)
where:
Base-Base interactions energy: -45.255
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.053
local terms energy: -54.467333
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -105.514014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.514014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.514014 (E_RNA)
where:
Base-Base interactions energy: -46.668
where: short stacking energy: -46.668
Base-Backbone interact. energy: -0.001
local terms energy: -58.844574
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -99.048159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.048159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.048159 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -40.873
Base-Backbone interact. energy: -0.137
local terms energy: -45.835341
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: 1.293
tors. eta vs tors. theta energy: -7.988
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: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -81.292081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.292081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.292081 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.235
local terms energy: -42.066278
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -9.128
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -206.203465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.203465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.203465 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.386
local terms energy: -78.100330
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -213.616600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.616600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.616600 (E_RNA)
where:
Base-Base interactions energy: -139.663
where: short stacking energy: -78.320
Base-Backbone interact. energy: 0.643
local terms energy: -74.596952
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -6.952
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -203.288250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.288250 (E_RNA)
where:
Base-Base interactions energy: -125.374
where: short stacking energy: -69.801
Base-Backbone interact. energy: -0.008
local terms energy: -77.906586
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -191.201627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.201627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.201627 (E_RNA)
where:
Base-Base interactions energy: -121.672
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.032
local terms energy: -69.497412
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -10.873
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: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -142.651647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.651647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.651647 (E_RNA)
where:
Base-Base interactions energy: -77.930
where: short stacking energy: -45.727
Base-Backbone interact. energy: 0.176
local terms energy: -64.897543
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -105.142927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.142927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.142927 (E_RNA)
where:
Base-Base interactions energy: -43.003
where: short stacking energy: -33.971
Base-Backbone interact. energy: -0.226
local terms energy: -61.913562
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -11.747
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: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -154.648967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.648967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.648967 (E_RNA)
where:
Base-Base interactions energy: -96.195
where: short stacking energy: -53.828
Base-Backbone interact. energy: -1.032
local terms energy: -57.421859
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -90.916731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.916731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.916731 (E_RNA)
where:
Base-Base interactions energy: -38.938
where: short stacking energy: -34.641
Base-Backbone interact. energy: -0.009
local terms energy: -51.969459
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -8.480
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: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -103.732507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.732507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.732507 (E_RNA)
where:
Base-Base interactions energy: -48.632
where: short stacking energy: -28.377
Base-Backbone interact. energy: 0.787
local terms energy: -55.887178
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -88.467434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.467434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.467434 (E_RNA)
where:
Base-Base interactions energy: -36.440
where: short stacking energy: -36.440
Base-Backbone interact. energy: -0.223
local terms energy: -51.804453
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -213.977442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.977442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.977442 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -72.930
Base-Backbone interact. energy: -0.168
local terms energy: -79.714012
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -207.233470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.233470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233470 (E_RNA)
where:
Base-Base interactions energy: -126.590
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.006
local terms energy: -80.637573
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -202.906164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.906164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.906164 (E_RNA)
where:
Base-Base interactions energy: -130.504
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.045
local terms energy: -72.357781
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -197.795814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.795814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.795814 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.021
local terms energy: -77.186952
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -162.730418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.730418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.730418 (E_RNA)
where:
Base-Base interactions energy: -99.225
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.002
local terms energy: -63.503619
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -12.201
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: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -106.543000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.543000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.543000 (E_RNA)
where:
Base-Base interactions energy: -36.313
where: short stacking energy: -36.313
Base-Backbone interact. energy: -0.135
local terms energy: -70.094193
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -107.821198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.821198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.821198 (E_RNA)
where:
Base-Base interactions energy: -51.487
where: short stacking energy: -29.740
Base-Backbone interact. energy: 0.629
local terms energy: -56.963471
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.413
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: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -146.304075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.304075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.304075 (E_RNA)
where:
Base-Base interactions energy: -85.124
where: short stacking energy: -46.361
Base-Backbone interact. energy: 0.931
local terms energy: -62.110989
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -78.850988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850988 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -35.637
Base-Backbone interact. energy: 3.383
local terms energy: -49.526611
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -7.763
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -84.293952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.293952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.293952 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -25.253
Base-Backbone interact. energy: -0.281
local terms energy: -52.216488
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -220.499347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.499347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.499347 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -78.288
Base-Backbone interact. energy: -0.001
local terms energy: -82.413212
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -207.656982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.656982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.656982 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -73.718
Base-Backbone interact. energy: -1.024
local terms energy: -76.832724
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -209.843547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.843547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.843547 (E_RNA)
where:
Base-Base interactions energy: -125.541
where: short stacking energy: -72.201
Base-Backbone interact. energy: -0.007
local terms energy: -84.295016
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -20.604
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: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -158.868942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.868942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.868942 (E_RNA)
where:
Base-Base interactions energy: -90.670
where: short stacking energy: -40.946
Base-Backbone interact. energy: -0.639
local terms energy: -67.560259
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -195.672158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.672158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.672158 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.237
local terms energy: -62.473366
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -99.895537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.895537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.895537 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -29.770
Base-Backbone interact. energy: -1.637
local terms energy: -52.968577
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -8.061
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: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -96.017498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017498 (E_RNA)
where:
Base-Base interactions energy: -40.920
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.006
local terms energy: -55.091493
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -7.273
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: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -149.968837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.968837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.968837 (E_RNA)
where:
Base-Base interactions energy: -84.518
where: short stacking energy: -48.596
Base-Backbone interact. energy: -0.010
local terms energy: -65.441396
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -87.785076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.785076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.785076 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -32.119
Base-Backbone interact. energy: 0.966
local terms energy: -56.173609
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -83.350290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.350290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.350290 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -20.585
Base-Backbone interact. energy: -0.283
local terms energy: -51.497256
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.297
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: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -225.221632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221632 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -83.075
Base-Backbone interact. energy: -0.005
local terms energy: -83.503455
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -22.577
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: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -212.880528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.880528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.880528 (E_RNA)
where:
Base-Base interactions energy: -133.570
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.013
local terms energy: -79.297187
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -22.160
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: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -199.985952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.985952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.985952 (E_RNA)
where:
Base-Base interactions energy: -119.174
where: short stacking energy: -74.899
Base-Backbone interact. energy: -0.006
local terms energy: -80.805605
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -20.605
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: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -183.211459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211459 (E_RNA)
where:
Base-Base interactions energy: -109.867
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.489
local terms energy: -72.856038
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -16.614
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: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -185.316260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.316260 (E_RNA)
where:
Base-Base interactions energy: -114.062
where: short stacking energy: -59.606
Base-Backbone interact. energy: -0.049
local terms energy: -71.205524
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -129.462202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.462202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.462202 (E_RNA)
where:
Base-Base interactions energy: -65.130
where: short stacking energy: -34.537
Base-Backbone interact. energy: -0.105
local terms energy: -64.227186
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -130.792903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.792903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.792903 (E_RNA)
where:
Base-Base interactions energy: -69.826
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.142
local terms energy: -60.824504
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -11.209
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: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -94.497116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497116 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.046
local terms energy: -57.820446
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -1.535
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -93.319421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.319421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.319421 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.224
local terms energy: -52.263936
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -91.441163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.441163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.441163 (E_RNA)
where:
Base-Base interactions energy: -44.209
where: short stacking energy: -29.072
Base-Backbone interact. energy: 0.535
local terms energy: -47.767538
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -229.144138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.144138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.144138 (E_RNA)
where:
Base-Base interactions energy: -137.042
where: short stacking energy: -82.494
Base-Backbone interact. energy: -0.851
local terms energy: -91.251542
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -214.753781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.753781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.753781 (E_RNA)
where:
Base-Base interactions energy: -132.584
where: short stacking energy: -83.179
Base-Backbone interact. energy: -0.087
local terms energy: -82.082624
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -23.284
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -205.934479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.934479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.934479 (E_RNA)
where:
Base-Base interactions energy: -125.214
where: short stacking energy: -62.359
Base-Backbone interact. energy: -0.208
local terms energy: -80.512269
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -193.713456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.713456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713456 (E_RNA)
where:
Base-Base interactions energy: -121.540
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.008
local terms energy: -72.165081
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.984
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: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -160.399916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.399916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.399916 (E_RNA)
where:
Base-Base interactions energy: -97.238
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.487
local terms energy: -62.675112
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -118.031661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.031661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.031661 (E_RNA)
where:
Base-Base interactions energy: -60.671
where: short stacking energy: -41.414
Base-Backbone interact. energy: 4.700
local terms energy: -62.061616
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -14.157
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: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -144.068601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.068601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.068601 (E_RNA)
where:
Base-Base interactions energy: -87.310
where: short stacking energy: -42.290
Base-Backbone interact. energy: -0.419
local terms energy: -56.340138
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -6.333
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: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -91.406758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.406758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.406758 (E_RNA)
where:
Base-Base interactions energy: -40.890
where: short stacking energy: -40.890
Base-Backbone interact. energy: -0.050
local terms energy: -50.466863
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -7.716
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -93.369286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.369286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.369286 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -32.929
Base-Backbone interact. energy: -0.108
local terms energy: -57.647150
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -86.534272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.534272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.534272 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.107
local terms energy: -51.872011
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -222.520278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.520278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.520278 (E_RNA)
where:
Base-Base interactions energy: -133.005
where: short stacking energy: -77.812
Base-Backbone interact. energy: -1.711
local terms energy: -87.804292
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -24.219
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -208.143663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143663 (E_RNA)
where:
Base-Base interactions energy: -126.710
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.015
local terms energy: -81.418645
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -19.928
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -202.180788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.180788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.180788 (E_RNA)
where:
Base-Base interactions energy: -124.074
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.001
local terms energy: -78.105700
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -203.024785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.024785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.024785 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.003
local terms energy: -76.860671
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -156.607539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.607539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.607539 (E_RNA)
where:
Base-Base interactions energy: -91.086
where: short stacking energy: -53.221
Base-Backbone interact. energy: -0.038
local terms energy: -65.482977
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -125.624458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.624458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.624458 (E_RNA)
where:
Base-Base interactions energy: -63.567
where: short stacking energy: -33.015
Base-Backbone interact. energy: -0.006
local terms energy: -62.051688
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -145.374708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.374708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.374708 (E_RNA)
where:
Base-Base interactions energy: -85.964
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.030
local terms energy: -59.381079
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -7.751
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: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -100.087312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.087312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.087312 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -41.039
Base-Backbone interact. energy: -0.018
local terms energy: -59.029779
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -85.283709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.283709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.283709 (E_RNA)
where:
Base-Base interactions energy: -29.449
where: short stacking energy: -29.449
Base-Backbone interact. energy: -0.033
local terms energy: -55.802005
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -87.095292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.095292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.095292 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.340
local terms energy: -56.162329
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -225.199632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.199632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.199632 (E_RNA)
where:
Base-Base interactions energy: -136.701
where: short stacking energy: -81.762
Base-Backbone interact. energy: -2.667
local terms energy: -85.831675
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -216.304526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304526 (E_RNA)
where:
Base-Base interactions energy: -149.048
where: short stacking energy: -82.201
Base-Backbone interact. energy: -0.058
local terms energy: -67.198221
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -18.843
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: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -202.643434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.643434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.643434 (E_RNA)
where:
Base-Base interactions energy: -123.359
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.168
local terms energy: -79.116450
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -21.704
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: 439
Temperature: 1.050000
Total energy: -182.564215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.564215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.564215 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.050
local terms energy: -66.927839
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -156.629518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.629518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.629518 (E_RNA)
where:
Base-Base interactions energy: -93.489
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.008
local terms energy: -63.132932
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -155.857961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.857961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.857961 (E_RNA)
where:
Base-Base interactions energy: -91.006
where: short stacking energy: -46.910
Base-Backbone interact. energy: -0.233
local terms energy: -64.619550
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -149.271822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.271822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.271822 (E_RNA)
where:
Base-Base interactions energy: -91.095
where: short stacking energy: -49.114
Base-Backbone interact. energy: -0.032
local terms energy: -58.145266
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -89.027643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.027643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.027643 (E_RNA)
where:
Base-Base interactions energy: -30.874
where: short stacking energy: -30.874
Base-Backbone interact. energy: -0.016
local terms energy: -58.138050
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -80.109001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.109001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.109001 (E_RNA)
where:
Base-Base interactions energy: -28.921
where: short stacking energy: -25.859
Base-Backbone interact. energy: -0.044
local terms energy: -51.143659
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -78.519275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.519275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.519275 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.378
local terms energy: -42.003846
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -0.899
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -207.962608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.962608 (E_RNA)
where:
Base-Base interactions energy: -133.367
where: short stacking energy: -69.209
Base-Backbone interact. energy: -0.095
local terms energy: -74.500971
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -209.449156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.449156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.449156 (E_RNA)
where:
Base-Base interactions energy: -128.262
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.029
local terms energy: -81.157545
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -200.148273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.148273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.148273 (E_RNA)
where:
Base-Base interactions energy: -121.874
where: short stacking energy: -71.408
Base-Backbone interact. energy: 0.052
local terms energy: -78.325732
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -20.581
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: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -184.286367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.286367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.286367 (E_RNA)
where:
Base-Base interactions energy: -111.338
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.804
local terms energy: -72.144777
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.765
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: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -162.347165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.347165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.347165 (E_RNA)
where:
Base-Base interactions energy: -93.890
where: short stacking energy: -52.842
Base-Backbone interact. energy: -0.286
local terms energy: -68.170887
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -154.308594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.308594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.308594 (E_RNA)
where:
Base-Base interactions energy: -82.360
where: short stacking energy: -48.289
Base-Backbone interact. energy: -0.077
local terms energy: -71.872040
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -154.110984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.110984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.110984 (E_RNA)
where:
Base-Base interactions energy: -100.167
where: short stacking energy: -42.216
Base-Backbone interact. energy: -0.253
local terms energy: -53.690779
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -83.645637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645637 (E_RNA)
where:
Base-Base interactions energy: -31.172
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.097
local terms energy: -52.376550
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -92.385372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385372 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.037
local terms energy: -52.926156
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -77.508493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.508493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.508493 (E_RNA)
where:
Base-Base interactions energy: -26.647
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.180
local terms energy: -50.681617
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -5.928
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: 441
Temperature: 0.900000
Total energy: -209.628351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628351 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -69.931
Base-Backbone interact. energy: -0.375
local terms energy: -70.087828
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -199.034755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.034755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.034755 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -69.213
Base-Backbone interact. energy: -0.011
local terms energy: -74.937127
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -13.384
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: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -203.617373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.617373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.617373 (E_RNA)
where:
Base-Base interactions energy: -125.867
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.069
local terms energy: -77.681886
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -173.033813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.033813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.033813 (E_RNA)
where:
Base-Base interactions energy: -101.267
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.002
local terms energy: -71.764585
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -191.814084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.814084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.814084 (E_RNA)
where:
Base-Base interactions energy: -130.152
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.293
local terms energy: -61.369049
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -126.742094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.742094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.742094 (E_RNA)
where:
Base-Base interactions energy: -70.875
where: short stacking energy: -34.799
Base-Backbone interact. energy: -0.104
local terms energy: -55.763099
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -5.566
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: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -146.577183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.577183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.577183 (E_RNA)
where:
Base-Base interactions energy: -86.017
where: short stacking energy: -46.193
Base-Backbone interact. energy: -0.010
local terms energy: -60.550662
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -7.212
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -103.112636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.112636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.112636 (E_RNA)
where:
Base-Base interactions energy: -49.732
where: short stacking energy: -49.732
Base-Backbone interact. energy: -0.580
local terms energy: -52.800367
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -82.307992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307992 (E_RNA)
where:
Base-Base interactions energy: -31.086
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.255
local terms energy: -50.966897
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -6.163
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: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -76.564791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.564791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.564791 (E_RNA)
where:
Base-Base interactions energy: -21.786
where: short stacking energy: -11.763
Base-Backbone interact. energy: 0.136
local terms energy: -54.914868
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: 1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -220.115499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.115499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.115499 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.007
local terms energy: -77.078742
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -201.712275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.712275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.712275 (E_RNA)
where:
Base-Base interactions energy: -121.191
where: short stacking energy: -59.606
Base-Backbone interact. energy: -0.069
local terms energy: -80.452279
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -205.670525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.670525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.670525 (E_RNA)
where:
Base-Base interactions energy: -131.565
where: short stacking energy: -67.682
Base-Backbone interact. energy: 1.588
local terms energy: -75.694190
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -172.144355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.144355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.144355 (E_RNA)
where:
Base-Base interactions energy: -104.122
where: short stacking energy: -53.398
Base-Backbone interact. energy: -0.034
local terms energy: -67.988578
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -176.116876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.116876 (E_RNA)
where:
Base-Base interactions energy: -116.088
where: short stacking energy: -51.236
Base-Backbone interact. energy: -0.318
local terms energy: -59.710554
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -15.020
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: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -137.676232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.676232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.676232 (E_RNA)
where:
Base-Base interactions energy: -81.344
where: short stacking energy: -46.755
Base-Backbone interact. energy: -0.148
local terms energy: -56.184600
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -2.821
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: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -102.172214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.172214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.172214 (E_RNA)
where:
Base-Base interactions energy: -44.603
where: short stacking energy: -44.603
Base-Backbone interact. energy: -0.195
local terms energy: -57.374055
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -8.790
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -129.861717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.861717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.861717 (E_RNA)
where:
Base-Base interactions energy: -73.497
where: short stacking energy: -44.431
Base-Backbone interact. energy: -0.123
local terms energy: -56.241913
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -103.708596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.708596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.708596 (E_RNA)
where:
Base-Base interactions energy: -47.351
where: short stacking energy: -27.298
Base-Backbone interact. energy: -0.124
local terms energy: -56.233867
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -9.642
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: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -95.246514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.246514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.246514 (E_RNA)
where:
Base-Base interactions energy: -37.079
where: short stacking energy: -23.025
Base-Backbone interact. energy: -0.541
local terms energy: -57.626316
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -214.995161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.995161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.995161 (E_RNA)
where:
Base-Base interactions energy: -129.581
where: short stacking energy: -71.782
Base-Backbone interact. energy: -0.049
local terms energy: -85.365578
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -20.783
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: 443
Temperature: 0.950000
Total energy: -201.624102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.624102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.624102 (E_RNA)
where:
Base-Base interactions energy: -123.830
where: short stacking energy: -75.803
Base-Backbone interact. energy: -0.004
local terms energy: -77.790272
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -216.402536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402536 (E_RNA)
where:
Base-Base interactions energy: -136.092
where: short stacking energy: -75.669
Base-Backbone interact. energy: -0.087
local terms energy: -80.223698
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -176.249477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.249477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.249477 (E_RNA)
where:
Base-Base interactions energy: -111.224
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.036
local terms energy: -64.989413
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -168.647104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.647104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.647104 (E_RNA)
where:
Base-Base interactions energy: -101.898
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.616
local terms energy: -66.133586
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.696
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: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -126.348806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.348806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.348806 (E_RNA)
where:
Base-Base interactions energy: -73.174
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.148
local terms energy: -53.026713
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -108.044725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.044725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.044725 (E_RNA)
where:
Base-Base interactions energy: -51.154
where: short stacking energy: -31.509
Base-Backbone interact. energy: 2.766
local terms energy: -59.656632
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -128.622475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.622475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.622475 (E_RNA)
where:
Base-Base interactions energy: -77.729
where: short stacking energy: -49.399
Base-Backbone interact. energy: -0.273
local terms energy: -50.619874
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -6.880
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: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -76.882783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.882783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.882783 (E_RNA)
where:
Base-Base interactions energy: -25.949
where: short stacking energy: -19.565
Base-Backbone interact. energy: -0.263
local terms energy: -50.671276
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -2.177
tors. eta vs tors. theta energy: -2.473
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: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -87.316986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.316986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.316986 (E_RNA)
where:
Base-Base interactions energy: -33.260
where: short stacking energy: -33.260
Base-Backbone interact. energy: -0.017
local terms energy: -54.039635
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -223.509418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.509418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.509418 (E_RNA)
where:
Base-Base interactions energy: -142.512
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.067
local terms energy: -80.930551
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -23.367
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -210.780423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.780423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.780423 (E_RNA)
where:
Base-Base interactions energy: -130.547
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.009
local terms energy: -80.223521
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -179.194927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.194927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.194927 (E_RNA)
where:
Base-Base interactions energy: -105.878
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.264
local terms energy: -73.052655
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -203.185416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.185416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.185416 (E_RNA)
where:
Base-Base interactions energy: -122.171
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.008
local terms energy: -81.006804
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -19.313
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: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -187.194986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.194986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.194986 (E_RNA)
where:
Base-Base interactions energy: -113.789
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.092
local terms energy: -73.313180
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -139.875668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.875668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.875668 (E_RNA)
where:
Base-Base interactions energy: -83.285
where: short stacking energy: -43.248
Base-Backbone interact. energy: 1.449
local terms energy: -58.039191
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -151.093157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.093157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.093157 (E_RNA)
where:
Base-Base interactions energy: -96.826
where: short stacking energy: -41.789
Base-Backbone interact. energy: -0.449
local terms energy: -53.818115
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: 0.429
tors. eta vs tors. theta energy: -8.792
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: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -99.719547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.719547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.719547 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -21.767
Base-Backbone interact. energy: -0.515
local terms energy: -56.875348
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.689
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: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -81.398228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398228 (E_RNA)
where:
Base-Base interactions energy: -29.296
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.557
local terms energy: -51.545881
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -81.357590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.357590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.357590 (E_RNA)
where:
Base-Base interactions energy: -28.327
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.393
local terms energy: -52.636824
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -228.155652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.155652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.155652 (E_RNA)
where:
Base-Base interactions energy: -139.204
where: short stacking energy: -85.216
Base-Backbone interact. energy: -0.034
local terms energy: -88.918615
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -220.176568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.176568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.176568 (E_RNA)
where:
Base-Base interactions energy: -138.595
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.031
local terms energy: -81.550747
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -170.470718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.470718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.470718 (E_RNA)
where:
Base-Base interactions energy: -99.590
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.002
local terms energy: -70.877750
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -11.041
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: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -218.310659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.310659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.310659 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -81.408
Base-Backbone interact. energy: -0.003
local terms energy: -77.559370
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -22.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -180.200136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.200136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.200136 (E_RNA)
where:
Base-Base interactions energy: -107.419
where: short stacking energy: -46.456
Base-Backbone interact. energy: -0.114
local terms energy: -72.667504
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -136.558166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.558166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.558166 (E_RNA)
where:
Base-Base interactions energy: -79.579
where: short stacking energy: -43.973
Base-Backbone interact. energy: 0.267
local terms energy: -57.246227
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -137.627298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.627298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.627298 (E_RNA)
where:
Base-Base interactions energy: -73.614
where: short stacking energy: -36.473
Base-Backbone interact. energy: -0.121
local terms energy: -63.892205
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -7.234
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: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -89.204212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.204212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.204212 (E_RNA)
where:
Base-Base interactions energy: -32.432
where: short stacking energy: -32.432
Base-Backbone interact. energy: -0.072
local terms energy: -56.700766
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -4.222
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: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -99.859226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.859226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.859226 (E_RNA)
where:
Base-Base interactions energy: -46.868
where: short stacking energy: -36.341
Base-Backbone interact. energy: -0.123
local terms energy: -52.868860
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -2.248
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: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -74.909385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.909385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.909385 (E_RNA)
where:
Base-Base interactions energy: -22.203
where: short stacking energy: -19.197
Base-Backbone interact. energy: -0.155
local terms energy: -52.551317
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -9.923
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: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -217.659719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.659719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.659719 (E_RNA)
where:
Base-Base interactions energy: -138.031
where: short stacking energy: -81.511
Base-Backbone interact. energy: -0.001
local terms energy: -79.627471
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -213.045792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.045792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.045792 (E_RNA)
where:
Base-Base interactions energy: -128.434
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.002
local terms energy: -84.609398
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -211.732354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.732354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.732354 (E_RNA)
where:
Base-Base interactions energy: -132.224
where: short stacking energy: -73.968
Base-Backbone interact. energy: -0.002
local terms energy: -79.506424
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -24.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -164.953787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.953787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.953787 (E_RNA)
where:
Base-Base interactions energy: -102.733
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.031
local terms energy: -62.189903
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -9.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -143.211224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.211224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.211224 (E_RNA)
where:
Base-Base interactions energy: -82.672
where: short stacking energy: -50.886
Base-Backbone interact. energy: -0.025
local terms energy: -60.514378
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -182.505939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.505939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.505939 (E_RNA)
where:
Base-Base interactions energy: -106.310
where: short stacking energy: -64.975
Base-Backbone interact. energy: -0.011
local terms energy: -76.185530
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -21.990
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: 446
Temperature: 1.200000
Total energy: -134.078509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.078509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.078509 (E_RNA)
where:
Base-Base interactions energy: -74.583
where: short stacking energy: -36.131
Base-Backbone interact. energy: 0.639
local terms energy: -60.134645
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -106.072821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.072821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.072821 (E_RNA)
where:
Base-Base interactions energy: -56.527
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.227
local terms energy: -49.318516
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -89.320299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320299 (E_RNA)
where:
Base-Base interactions energy: -52.091
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.265
local terms energy: -36.964357
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -79.775537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.775537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.775537 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.079
local terms energy: -54.012956
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -214.910230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.910230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.910230 (E_RNA)
where:
Base-Base interactions energy: -133.287
where: short stacking energy: -75.189
Base-Backbone interact. energy: -0.240
local terms energy: -81.383429
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -214.821274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.821274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821274 (E_RNA)
where:
Base-Base interactions energy: -128.309
where: short stacking energy: -71.679
Base-Backbone interact. energy: 0.038
local terms energy: -86.549780
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -21.055
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: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -206.466637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.466637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.466637 (E_RNA)
where:
Base-Base interactions energy: -127.500
where: short stacking energy: -78.345
Base-Backbone interact. energy: -0.079
local terms energy: -78.887208
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -179.669701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669701 (E_RNA)
where:
Base-Base interactions energy: -111.945
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.506
local terms energy: -67.219451
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -157.675169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.675169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.675169 (E_RNA)
where:
Base-Base interactions energy: -84.475
where: short stacking energy: -49.280
Base-Backbone interact. energy: 0.166
local terms energy: -73.366335
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -16.136
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: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -171.477201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.477201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.477201 (E_RNA)
where:
Base-Base interactions energy: -107.447
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.144
local terms energy: -63.886344
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -128.104307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.104307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.104307 (E_RNA)
where:
Base-Base interactions energy: -68.559
where: short stacking energy: -42.876
Base-Backbone interact. energy: -0.042
local terms energy: -59.503394
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: -12.687
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: 447
Temperature: 1.250000
Total energy: -91.047513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.047513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.047513 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -32.065
Base-Backbone interact. energy: -0.115
local terms energy: -58.388541
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -80.996037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.996037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.996037 (E_RNA)
where:
Base-Base interactions energy: -28.889
where: short stacking energy: -28.889
Base-Backbone interact. energy: -0.017
local terms energy: -52.089452
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -88.603466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.603466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.603466 (E_RNA)
where:
Base-Base interactions energy: -30.294
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.029
local terms energy: -58.280293
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -212.903390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.903390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.903390 (E_RNA)
where:
Base-Base interactions energy: -133.228
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.232
local terms energy: -79.444040
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -216.884113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.884113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.884113 (E_RNA)
where:
Base-Base interactions energy: -130.900
where: short stacking energy: -78.336
Base-Backbone interact. energy: -0.027
local terms energy: -85.956531
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -208.482437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.482437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.482437 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -75.604
Base-Backbone interact. energy: -0.025
local terms energy: -79.309939
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -156.547046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.547046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.547046 (E_RNA)
where:
Base-Base interactions energy: -98.623
where: short stacking energy: -52.288
Base-Backbone interact. energy: -0.140
local terms energy: -57.784484
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -201.965149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.965149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.965149 (E_RNA)
where:
Base-Base interactions energy: -120.369
where: short stacking energy: -69.794
Base-Backbone interact. energy: -0.005
local terms energy: -81.590978
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -162.495122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.495122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.495122 (E_RNA)
where:
Base-Base interactions energy: -102.181
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.449
local terms energy: -59.865745
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -10.299
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: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -96.106027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.106027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.106027 (E_RNA)
where:
Base-Base interactions energy: -39.783
where: short stacking energy: -39.783
Base-Backbone interact. energy: -0.099
local terms energy: -56.223943
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -9.677
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -101.316562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.316562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.316562 (E_RNA)
where:
Base-Base interactions energy: -39.970
where: short stacking energy: -39.970
Base-Backbone interact. energy: -0.031
local terms energy: -61.316082
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -94.833991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.833991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.833991 (E_RNA)
where:
Base-Base interactions energy: -45.050
where: short stacking energy: -40.232
Base-Backbone interact. energy: 1.875
local terms energy: -51.658995
where:
bonds (distance) C4'-P energy: -8.408
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -78.531299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.531299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.531299 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -24.807
Base-Backbone interact. energy: -0.161
local terms energy: -53.563049
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -219.668941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.668941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.668941 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -80.054
Base-Backbone interact. energy: -0.032
local terms energy: -85.269693
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -211.107600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.107600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.107600 (E_RNA)
where:
Base-Base interactions energy: -129.176
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.141
local terms energy: -81.790767
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -204.393607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.393607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.393607 (E_RNA)
where:
Base-Base interactions energy: -121.965
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.065
local terms energy: -82.363848
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -21.227
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: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -195.856910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.856910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.856910 (E_RNA)
where:
Base-Base interactions energy: -117.386
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.058
local terms energy: -78.412704
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -169.900134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.900134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.900134 (E_RNA)
where:
Base-Base interactions energy: -101.095
where: short stacking energy: -52.015
Base-Backbone interact. energy: -0.697
local terms energy: -68.108157
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -15.903
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: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -145.031363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.031363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.031363 (E_RNA)
where:
Base-Base interactions energy: -79.469
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.245
local terms energy: -65.317518
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -11.217
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: 449
Temperature: 1.200000
Total energy: -99.465546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.465546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.465546 (E_RNA)
where:
Base-Base interactions energy: -46.622
where: short stacking energy: -43.368
Base-Backbone interact. energy: -0.080
local terms energy: -52.763900
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -95.990154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.990154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.990154 (E_RNA)
where:
Base-Base interactions energy: -37.597
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.181
local terms energy: -58.212521
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -5.856
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: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -85.861323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.861323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.861323 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -30.461
Base-Backbone interact. energy: -0.173
local terms energy: -52.753801
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -89.345900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.345900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.345900 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -30.447
Base-Backbone interact. energy: -0.033
local terms energy: -51.661808
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -216.804954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.804954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.804954 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.012
local terms energy: -83.645137
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -22.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -213.299045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.299045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.299045 (E_RNA)
where:
Base-Base interactions energy: -128.859
where: short stacking energy: -75.779
Base-Backbone interact. energy: -0.032
local terms energy: -84.407495
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -207.074859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.074859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.074859 (E_RNA)
where:
Base-Base interactions energy: -123.731
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.000
local terms energy: -83.343901
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -207.074555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.074555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.074555 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.031
local terms energy: -81.671499
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -161.318273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.318273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.318273 (E_RNA)
where:
Base-Base interactions energy: -97.400
where: short stacking energy: -43.747
Base-Backbone interact. energy: -0.017
local terms energy: -63.900884
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -156.373555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.373555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.373555 (E_RNA)
where:
Base-Base interactions energy: -89.319
where: short stacking energy: -44.461
Base-Backbone interact. energy: -0.175
local terms energy: -66.879451
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -10.118
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -87.606919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606919 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -32.859
Base-Backbone interact. energy: -0.363
local terms energy: -49.542574
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -94.282132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.282132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.282132 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -41.990
Base-Backbone interact. energy: -0.181
local terms energy: -51.514568
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -77.396022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.396022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.396022 (E_RNA)
where:
Base-Base interactions energy: -27.771
where: short stacking energy: -26.739
Base-Backbone interact. energy: -0.173
local terms energy: -49.451825
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -3.153
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: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -84.870403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.870403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.870403 (E_RNA)
where:
Base-Base interactions energy: -28.779
where: short stacking energy: -27.295
Base-Backbone interact. energy: -0.144
local terms energy: -55.947717
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.780
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: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -214.796416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.796416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.796416 (E_RNA)
where:
Base-Base interactions energy: -133.777
where: short stacking energy: -79.349
Base-Backbone interact. energy: -0.039
local terms energy: -80.980717
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -23.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -215.592285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.592285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.592285 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.051
local terms energy: -86.945286
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -210.296944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.296944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.296944 (E_RNA)
where:
Base-Base interactions energy: -124.351
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.052
local terms energy: -85.893179
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -205.127263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.127263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.127263 (E_RNA)
where:
Base-Base interactions energy: -127.432
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.007
local terms energy: -77.688612
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -138.697953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.697953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.697953 (E_RNA)
where:
Base-Base interactions energy: -83.759
where: short stacking energy: -44.868
Base-Backbone interact. energy: -0.658
local terms energy: -54.281308
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -6.125
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -103.665986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.665986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.665986 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.607
local terms energy: -62.735229
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -144.703241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.703241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.703241 (E_RNA)
where:
Base-Base interactions energy: -80.764
where: short stacking energy: -44.450
Base-Backbone interact. energy: -0.354
local terms energy: -63.585457
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.167
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: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -86.857586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857586 (E_RNA)
where:
Base-Base interactions energy: -31.474
where: short stacking energy: -27.714
Base-Backbone interact. energy: -0.277
local terms energy: -55.106802
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -10.686
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: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -82.683210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.683210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.683210 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.099
local terms energy: -45.537336
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -75.958070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958070 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.389
local terms energy: -44.497514
where:
bonds (distance) C4'-P energy: -6.782
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -214.779750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.779750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.779750 (E_RNA)
where:
Base-Base interactions energy: -136.428
where: short stacking energy: -71.755
Base-Backbone interact. energy: -0.273
local terms energy: -78.078705
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -211.667528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.667528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.667528 (E_RNA)
where:
Base-Base interactions energy: -128.622
where: short stacking energy: -71.753
Base-Backbone interact. energy: -0.004
local terms energy: -83.041616
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -211.736656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.736656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.736656 (E_RNA)
where:
Base-Base interactions energy: -128.703
where: short stacking energy: -77.284
Base-Backbone interact. energy: 0.371
local terms energy: -83.404755
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -187.372170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372170 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.181
local terms energy: -69.053958
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -16.095
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: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -146.541956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.541956 (E_RNA)
where:
Base-Base interactions energy: -87.916
where: short stacking energy: -43.252
Base-Backbone interact. energy: 0.365
local terms energy: -58.991141
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -7.294
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: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -107.997727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.997727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.997727 (E_RNA)
where:
Base-Base interactions energy: -43.142
where: short stacking energy: -43.142
Base-Backbone interact. energy: -0.282
local terms energy: -64.573616
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -6.429
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: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -135.024523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.024523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.024523 (E_RNA)
where:
Base-Base interactions energy: -72.648
where: short stacking energy: -40.417
Base-Backbone interact. energy: -0.270
local terms energy: -62.106330
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -11.767
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: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -96.395595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.395595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.395595 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.232
local terms energy: -60.183641
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -106.121454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.121454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.121454 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -32.544
Base-Backbone interact. energy: 0.332
local terms energy: -54.123671
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -92.275723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275723 (E_RNA)
where:
Base-Base interactions energy: -44.647
where: short stacking energy: -25.740
Base-Backbone interact. energy: -0.828
local terms energy: -46.801445
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -221.242302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.242302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.242302 (E_RNA)
where:
Base-Base interactions energy: -138.798
where: short stacking energy: -79.121
Base-Backbone interact. energy: -0.008
local terms energy: -82.435839
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -219.637956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.637956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.637956 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -81.127
Base-Backbone interact. energy: -0.004
local terms energy: -82.711558
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -212.452194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.452194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.452194 (E_RNA)
where:
Base-Base interactions energy: -138.425
where: short stacking energy: -77.587
Base-Backbone interact. energy: -0.007
local terms energy: -74.019688
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -23.369
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: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -191.481741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.481741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.481741 (E_RNA)
where:
Base-Base interactions energy: -114.752
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.121
local terms energy: -76.609552
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -20.602
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: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -159.909449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.909449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.909449 (E_RNA)
where:
Base-Base interactions energy: -89.597
where: short stacking energy: -49.958
Base-Backbone interact. energy: -0.487
local terms energy: -69.825964
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.351
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: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -134.289666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.289666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.289666 (E_RNA)
where:
Base-Base interactions energy: -74.381
where: short stacking energy: -35.551
Base-Backbone interact. energy: -0.005
local terms energy: -59.904220
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -89.042869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.042869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.042869 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -35.505
Base-Backbone interact. energy: -0.325
local terms energy: -51.512950
where:
bonds (distance) C4'-P energy: -5.482
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -8.574
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: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -99.288227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.288227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.288227 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.105
local terms energy: -60.274084
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -82.964864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964864 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.123
local terms energy: -48.831042
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -115.907173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.907173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.907173 (E_RNA)
where:
Base-Base interactions energy: -54.760
where: short stacking energy: -29.462
Base-Backbone interact. energy: -0.483
local terms energy: -60.664592
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -211.683165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.683165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.683165 (E_RNA)
where:
Base-Base interactions energy: -129.167
where: short stacking energy: -77.202
Base-Backbone interact. energy: -0.086
local terms energy: -82.430725
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -208.025551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.025551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.025551 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -78.985
Base-Backbone interact. energy: -0.131
local terms energy: -82.346006
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -203.912273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.912273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.912273 (E_RNA)
where:
Base-Base interactions energy: -125.423
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.582
local terms energy: -77.907246
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -191.396201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.396201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.396201 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.444
local terms energy: -69.652608
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -144.193988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.193988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.193988 (E_RNA)
where:
Base-Base interactions energy: -77.228
where: short stacking energy: -50.115
Base-Backbone interact. energy: -2.050
local terms energy: -64.915218
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.603
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: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -144.323056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.323056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.323056 (E_RNA)
where:
Base-Base interactions energy: -87.137
where: short stacking energy: -46.640
Base-Backbone interact. energy: -0.326
local terms energy: -56.859396
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.131
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: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -107.428848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.428848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.428848 (E_RNA)
where:
Base-Base interactions energy: -62.372
where: short stacking energy: -33.271
Base-Backbone interact. energy: 0.339
local terms energy: -45.396451
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -5.973
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -92.383439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.383439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.383439 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.178
local terms energy: -60.610794
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -8.886
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -113.230424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.230424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.230424 (E_RNA)
where:
Base-Base interactions energy: -60.638
where: short stacking energy: -30.926
Base-Backbone interact. energy: -0.360
local terms energy: -52.232554
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.254
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: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -91.551972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.551972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.551972 (E_RNA)
where:
Base-Base interactions energy: -45.925
where: short stacking energy: -26.869
Base-Backbone interact. energy: 1.534
local terms energy: -47.160911
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: 0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -218.646144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.646144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.646144 (E_RNA)
where:
Base-Base interactions energy: -135.997
where: short stacking energy: -72.926
Base-Backbone interact. energy: -0.004
local terms energy: -82.645562
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -22.340
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: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -218.720646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.720646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.720646 (E_RNA)
where:
Base-Base interactions energy: -139.402
where: short stacking energy: -84.698
Base-Backbone interact. energy: -0.037
local terms energy: -79.281194
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -24.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -201.172307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.172307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.172307 (E_RNA)
where:
Base-Base interactions energy: -125.187
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.012
local terms energy: -75.973126
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -202.556169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.556169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.556169 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -72.367
Base-Backbone interact. energy: -0.025
local terms energy: -76.897348
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -157.837551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.837551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.837551 (E_RNA)
where:
Base-Base interactions energy: -96.671
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.412
local terms energy: -60.754526
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -13.592
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: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -175.009403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.009403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.009403 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -54.670
Base-Backbone interact. energy: -0.188
local terms energy: -72.075504
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -96.315475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.315475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.315475 (E_RNA)
where:
Base-Base interactions energy: -44.492
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.422
local terms energy: -51.401661
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -132.514881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.514881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.514881 (E_RNA)
where:
Base-Base interactions energy: -71.263
where: short stacking energy: -40.634
Base-Backbone interact. energy: -0.202
local terms energy: -61.050002
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -11.929
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: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -81.536199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.536199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.536199 (E_RNA)
where:
Base-Base interactions energy: -34.277
where: short stacking energy: -34.277
Base-Backbone interact. energy: -0.162
local terms energy: -47.097499
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -80.357230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.357230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.357230 (E_RNA)
where:
Base-Base interactions energy: -27.899
where: short stacking energy: -23.708
Base-Backbone interact. energy: -0.235
local terms energy: -52.222843
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -193.233681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.233681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.233681 (E_RNA)
where:
Base-Base interactions energy: -118.717
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.611
local terms energy: -73.905439
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -13.211
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: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -222.931291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.931291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.931291 (E_RNA)
where:
Base-Base interactions energy: -141.245
where: short stacking energy: -80.602
Base-Backbone interact. energy: -0.006
local terms energy: -81.680110
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -205.509472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.509472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.509472 (E_RNA)
where:
Base-Base interactions energy: -136.229
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.104
local terms energy: -69.176890
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -195.300902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.300902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.300902 (E_RNA)
where:
Base-Base interactions energy: -117.640
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.065
local terms energy: -77.596026
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -20.571
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: 456
Temperature: 1.100000
Total energy: -160.474313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.474313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.474313 (E_RNA)
where:
Base-Base interactions energy: -94.246
where: short stacking energy: -49.885
Base-Backbone interact. energy: -0.134
local terms energy: -66.094376
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.061
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: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -155.122435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.122435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.122435 (E_RNA)
where:
Base-Base interactions energy: -88.019
where: short stacking energy: -46.283
Base-Backbone interact. energy: -0.856
local terms energy: -66.246737
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -128.265215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.265215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.265215 (E_RNA)
where:
Base-Base interactions energy: -76.128
where: short stacking energy: -36.269
Base-Backbone interact. energy: 0.156
local terms energy: -52.292773
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.086
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: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -85.775940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.775940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.775940 (E_RNA)
where:
Base-Base interactions energy: -35.729
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.095
local terms energy: -49.952390
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -13.537
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: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -83.419504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.419504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.419504 (E_RNA)
where:
Base-Base interactions energy: -29.199
where: short stacking energy: -29.199
Base-Backbone interact. energy: -0.106
local terms energy: -54.114533
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -93.534742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.534742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.534742 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -35.322
Base-Backbone interact. energy: 0.189
local terms energy: -58.401266
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -8.809
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: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -206.181278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.181278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.181278 (E_RNA)
where:
Base-Base interactions energy: -120.616
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.056
local terms energy: -85.509141
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -224.570719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.570719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.570719 (E_RNA)
where:
Base-Base interactions energy: -137.124
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.027
local terms energy: -87.420029
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -23.875
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: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -201.646526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.646526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.646526 (E_RNA)
where:
Base-Base interactions energy: -121.185
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.041
local terms energy: -80.420027
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -192.866562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.866562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.866562 (E_RNA)
where:
Base-Base interactions energy: -123.766
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.055
local terms energy: -69.044852
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -148.666639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.666639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.666639 (E_RNA)
where:
Base-Base interactions energy: -82.100
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.220
local terms energy: -66.347425
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -164.028713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.028713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.028713 (E_RNA)
where:
Base-Base interactions energy: -98.360
where: short stacking energy: -54.484
Base-Backbone interact. energy: -0.186
local terms energy: -65.483281
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -14.544
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: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -149.097066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.097066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.097066 (E_RNA)
where:
Base-Base interactions energy: -83.216
where: short stacking energy: -45.642
Base-Backbone interact. energy: -0.155
local terms energy: -65.726383
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -95.878403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878403 (E_RNA)
where:
Base-Base interactions energy: -38.056
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.109
local terms energy: -57.713642
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -84.099010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099010 (E_RNA)
where:
Base-Base interactions energy: -31.050
where: short stacking energy: -27.916
Base-Backbone interact. energy: -0.405
local terms energy: -52.643617
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -80.555591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.555591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.555591 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -29.524
Base-Backbone interact. energy: -0.053
local terms energy: -49.186534
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -1.816
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: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -219.412899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.412899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.412899 (E_RNA)
where:
Base-Base interactions energy: -132.947
where: short stacking energy: -80.334
Base-Backbone interact. energy: -0.005
local terms energy: -86.460471
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -23.226
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: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -200.959440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959440 (E_RNA)
where:
Base-Base interactions energy: -129.297
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.110
local terms energy: -71.552164
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -193.118665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.118665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.118665 (E_RNA)
where:
Base-Base interactions energy: -114.401
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.010
local terms energy: -78.706958
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -20.317
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: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -199.496953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.496953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.496953 (E_RNA)
where:
Base-Base interactions energy: -123.222
where: short stacking energy: -73.294
Base-Backbone interact. energy: -0.002
local terms energy: -76.273486
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -152.229768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.229768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.229768 (E_RNA)
where:
Base-Base interactions energy: -84.559
where: short stacking energy: -43.233
Base-Backbone interact. energy: -0.201
local terms energy: -67.469099
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -156.764149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.764149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.764149 (E_RNA)
where:
Base-Base interactions energy: -92.919
where: short stacking energy: -51.766
Base-Backbone interact. energy: -0.418
local terms energy: -63.427595
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -141.420966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.420966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.420966 (E_RNA)
where:
Base-Base interactions energy: -81.341
where: short stacking energy: -39.479
Base-Backbone interact. energy: -0.587
local terms energy: -59.492375
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -7.111
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: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -81.578151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578151 (E_RNA)
where:
Base-Base interactions energy: -23.579
where: short stacking energy: -22.196
Base-Backbone interact. energy: -0.943
local terms energy: -57.055713
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -85.188755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.188755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.188755 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.005
local terms energy: -50.844812
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -4.459
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: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -75.542495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.542495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.542495 (E_RNA)
where:
Base-Base interactions energy: -22.028
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.312
local terms energy: -53.202937
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -209.041973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.041973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.041973 (E_RNA)
where:
Base-Base interactions energy: -127.644
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.056
local terms energy: -81.341818
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -213.513576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513576 (E_RNA)
where:
Base-Base interactions energy: -134.713
where: short stacking energy: -76.270
Base-Backbone interact. energy: 0.871
local terms energy: -79.671835
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -22.432
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: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -187.423943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.423943 (E_RNA)
where:
Base-Base interactions energy: -112.508
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.014
local terms energy: -74.902422
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -12.993
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: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -158.781427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.781427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.781427 (E_RNA)
where:
Base-Base interactions energy: -94.453
where: short stacking energy: -61.033
Base-Backbone interact. energy: -0.085
local terms energy: -64.242948
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -6.954
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: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -176.154920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.154920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.154920 (E_RNA)
where:
Base-Base interactions energy: -108.342
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.029
local terms energy: -67.783639
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -14.106
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: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -157.089945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.089945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.089945 (E_RNA)
where:
Base-Base interactions energy: -96.186
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.086
local terms energy: -60.817905
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -15.418
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: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -149.810405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.810405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.810405 (E_RNA)
where:
Base-Base interactions energy: -88.427
where: short stacking energy: -52.060
Base-Backbone interact. energy: -0.072
local terms energy: -61.311432
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -10.542
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -90.813619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.813619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.813619 (E_RNA)
where:
Base-Base interactions energy: -35.883
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.150
local terms energy: -54.780756
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: 1.511
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: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -86.219971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.219971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.219971 (E_RNA)
where:
Base-Base interactions energy: -33.998
where: short stacking energy: -30.150
Base-Backbone interact. energy: 0.870
local terms energy: -53.091962
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -95.260531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.260531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.260531 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -32.650
Base-Backbone interact. energy: -0.022
local terms energy: -58.576500
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -216.119294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119294 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -78.652
Base-Backbone interact. energy: -0.100
local terms energy: -80.086204
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -204.249769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.249769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.249769 (E_RNA)
where:
Base-Base interactions energy: -125.389
where: short stacking energy: -68.552
Base-Backbone interact. energy: 0.193
local terms energy: -79.054311
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -19.952
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: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -193.102443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.102443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.102443 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.767
local terms energy: -75.271597
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -160.267576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.267576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.267576 (E_RNA)
where:
Base-Base interactions energy: -98.462
where: short stacking energy: -42.928
Base-Backbone interact. energy: -0.258
local terms energy: -61.547730
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -6.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -185.838602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.838602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.838602 (E_RNA)
where:
Base-Base interactions energy: -111.702
where: short stacking energy: -52.605
Base-Backbone interact. energy: -0.043
local terms energy: -74.093687
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -150.067843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.067843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.067843 (E_RNA)
where:
Base-Base interactions energy: -91.277
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.908
local terms energy: -57.883270
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -155.079713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.079713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.079713 (E_RNA)
where:
Base-Base interactions energy: -97.185
where: short stacking energy: -54.938
Base-Backbone interact. energy: -0.381
local terms energy: -57.513960
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -89.606210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.606210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.606210 (E_RNA)
where:
Base-Base interactions energy: -34.215
where: short stacking energy: -28.614
Base-Backbone interact. energy: 0.252
local terms energy: -55.643004
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -95.214788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.214788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.214788 (E_RNA)
where:
Base-Base interactions energy: -46.134
where: short stacking energy: -38.131
Base-Backbone interact. energy: 0.412
local terms energy: -49.492055
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -10.188
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: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -72.978240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.978240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.978240 (E_RNA)
where:
Base-Base interactions energy: -19.419
where: short stacking energy: -18.171
Base-Backbone interact. energy: 1.021
local terms energy: -54.580189
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: 3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -210.273497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.273497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.273497 (E_RNA)
where:
Base-Base interactions energy: -127.420
where: short stacking energy: -74.050
Base-Backbone interact. energy: -0.133
local terms energy: -82.720438
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -200.283969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.283969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.283969 (E_RNA)
where:
Base-Base interactions energy: -130.283
where: short stacking energy: -71.215
Base-Backbone interact. energy: -0.411
local terms energy: -69.589460
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -205.156741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.156741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.156741 (E_RNA)
where:
Base-Base interactions energy: -128.149
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.564
local terms energy: -76.443152
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -164.423178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.423178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.423178 (E_RNA)
where:
Base-Base interactions energy: -93.627
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.002
local terms energy: -70.794123
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -186.640284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.640284 (E_RNA)
where:
Base-Base interactions energy: -114.943
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.222
local terms energy: -71.474608
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -143.269795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.269795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.269795 (E_RNA)
where:
Base-Base interactions energy: -77.021
where: short stacking energy: -49.402
Base-Backbone interact. energy: -0.019
local terms energy: -66.230767
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -165.569338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.569338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.569338 (E_RNA)
where:
Base-Base interactions energy: -103.563
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.066
local terms energy: -61.940702
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -8.039
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -90.079357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.079357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.079357 (E_RNA)
where:
Base-Base interactions energy: -40.119
where: short stacking energy: -40.119
Base-Backbone interact. energy: -0.216
local terms energy: -49.743958
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -84.063875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.063875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.063875 (E_RNA)
where:
Base-Base interactions energy: -34.906
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.059
local terms energy: -49.099421
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -79.021761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021761 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -18.703
Base-Backbone interact. energy: 2.962
local terms energy: -52.853823
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -5.713
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: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -208.144140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.144140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.144140 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -78.048
Base-Backbone interact. energy: 0.003
local terms energy: -75.818488
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -201.966728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.966728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.966728 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.385
local terms energy: -73.544191
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -206.798082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.798082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.798082 (E_RNA)
where:
Base-Base interactions energy: -133.599
where: short stacking energy: -69.973
Base-Backbone interact. energy: -0.043
local terms energy: -73.156494
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -17.064
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: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -164.222396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.222396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.222396 (E_RNA)
where:
Base-Base interactions energy: -99.242
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.740
local terms energy: -64.240016
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -13.000
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: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -185.802382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.802382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.802382 (E_RNA)
where:
Base-Base interactions energy: -110.654
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.004
local terms energy: -75.144984
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -19.870
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: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -135.555620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.555620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.555620 (E_RNA)
where:
Base-Base interactions energy: -66.482
where: short stacking energy: -41.418
Base-Backbone interact. energy: -0.255
local terms energy: -68.819408
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -11.689
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: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -149.361171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.361171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.361171 (E_RNA)
where:
Base-Base interactions energy: -88.281
where: short stacking energy: -52.686
Base-Backbone interact. energy: 0.170
local terms energy: -61.250177
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -6.301
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: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -91.017106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.017106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.017106 (E_RNA)
where:
Base-Base interactions energy: -37.044
where: short stacking energy: -33.862
Base-Backbone interact. energy: 0.136
local terms energy: -54.109569
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -80.486767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.486767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.486767 (E_RNA)
where:
Base-Base interactions energy: -33.499
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.140
local terms energy: -46.847440
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -8.229
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: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -95.288524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.288524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.288524 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.052
local terms energy: -60.304136
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -9.632
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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -210.398693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.398693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.398693 (E_RNA)
where:
Base-Base interactions energy: -130.587
where: short stacking energy: -77.019
Base-Backbone interact. energy: -1.756
local terms energy: -78.055996
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -199.474162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474162 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.025
local terms energy: -75.288773
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -198.470449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.470449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.470449 (E_RNA)
where:
Base-Base interactions energy: -120.474
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.002
local terms energy: -77.993723
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -21.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -202.022204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.022204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.022204 (E_RNA)
where:
Base-Base interactions energy: -130.105
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.002
local terms energy: -71.915276
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -167.013164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.013164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.013164 (E_RNA)
where:
Base-Base interactions energy: -99.070
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.130
local terms energy: -67.812997
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -145.339459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.339459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.339459 (E_RNA)
where:
Base-Base interactions energy: -86.117
where: short stacking energy: -53.445
Base-Backbone interact. energy: -0.102
local terms energy: -59.120769
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -137.538719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.538719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.538719 (E_RNA)
where:
Base-Base interactions energy: -80.867
where: short stacking energy: -44.073
Base-Backbone interact. energy: -0.204
local terms energy: -56.467479
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -8.846
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: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -95.858266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.858266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.858266 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.194
local terms energy: -61.750436
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.786
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: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -84.786512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786512 (E_RNA)
where:
Base-Base interactions energy: -30.713
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.126
local terms energy: -53.947180
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.599
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: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -86.428822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.428822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.428822 (E_RNA)
where:
Base-Base interactions energy: -32.151
where: short stacking energy: -26.401
Base-Backbone interact. energy: -0.170
local terms energy: -54.107411
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -207.572231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.572231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.572231 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -74.528
Base-Backbone interact. energy: -0.137
local terms energy: -76.291385
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -18.234
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: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -204.943493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.943493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.943493 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -73.304
Base-Backbone interact. energy: -0.009
local terms energy: -77.712438
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -19.734
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: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -199.459085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.459085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.459085 (E_RNA)
where:
Base-Base interactions energy: -120.778
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.155
local terms energy: -78.525583
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -201.116517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.116517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.116517 (E_RNA)
where:
Base-Base interactions energy: -129.289
where: short stacking energy: -75.305
Base-Backbone interact. energy: -0.027
local terms energy: -71.800118
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -20.138
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: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -148.797707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.797707 (E_RNA)
where:
Base-Base interactions energy: -86.058
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.558
local terms energy: -62.181999
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -155.492391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.492391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.492391 (E_RNA)
where:
Base-Base interactions energy: -95.963
where: short stacking energy: -49.646
Base-Backbone interact. energy: -0.090
local terms energy: -59.439791
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -141.491762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.491762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.491762 (E_RNA)
where:
Base-Base interactions energy: -81.865
where: short stacking energy: -53.552
Base-Backbone interact. energy: -0.042
local terms energy: -59.584919
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -0.572
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -85.532629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.532629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.532629 (E_RNA)
where:
Base-Base interactions energy: -30.969
where: short stacking energy: -30.969
Base-Backbone interact. energy: 0.230
local terms energy: -54.793304
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -96.117114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.117114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.117114 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.084
local terms energy: -60.989725
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -94.464794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.464794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.464794 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -38.412
Base-Backbone interact. energy: -0.177
local terms energy: -55.875279
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -218.219415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219415 (E_RNA)
where:
Base-Base interactions energy: -133.257
where: short stacking energy: -81.151
Base-Backbone interact. energy: -0.016
local terms energy: -84.946639
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -24.503
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -220.425846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425846 (E_RNA)
where:
Base-Base interactions energy: -135.752
where: short stacking energy: -83.620
Base-Backbone interact. energy: -0.068
local terms energy: -84.605384
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -192.629117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.629117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.629117 (E_RNA)
where:
Base-Base interactions energy: -108.931
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.020
local terms energy: -83.677826
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -20.115
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -188.415831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.415831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.415831 (E_RNA)
where:
Base-Base interactions energy: -113.402
where: short stacking energy: -57.046
Base-Backbone interact. energy: -0.139
local terms energy: -74.875292
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -171.876681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.876681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.876681 (E_RNA)
where:
Base-Base interactions energy: -99.330
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.183
local terms energy: -72.364045
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -12.446
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: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -148.328489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.328489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.328489 (E_RNA)
where:
Base-Base interactions energy: -88.338
where: short stacking energy: -44.623
Base-Backbone interact. energy: 0.056
local terms energy: -60.046180
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -149.177339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.177339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.177339 (E_RNA)
where:
Base-Base interactions energy: -91.710
where: short stacking energy: -41.295
Base-Backbone interact. energy: -0.803
local terms energy: -56.664096
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -94.153684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.153684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.153684 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -37.823
Base-Backbone interact. energy: -0.009
local terms energy: -56.321617
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -90.068321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.068321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.068321 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.268
local terms energy: -63.132068
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -85.526395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.526395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.526395 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.025
local terms energy: -55.278939
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -218.509838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.509838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.509838 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.013
local terms energy: -85.363143
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -24.558
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -211.726630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.726630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.726630 (E_RNA)
where:
Base-Base interactions energy: -128.849
where: short stacking energy: -80.270
Base-Backbone interact. energy: -0.050
local terms energy: -82.828099
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -205.203318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.203318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.203318 (E_RNA)
where:
Base-Base interactions energy: -125.882
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.169
local terms energy: -79.151658
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -18.628
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: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -183.695561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.695561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.695561 (E_RNA)
where:
Base-Base interactions energy: -111.776
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.037
local terms energy: -71.882633
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -18.313
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: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -161.576078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.576078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.576078 (E_RNA)
where:
Base-Base interactions energy: -96.458
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.238
local terms energy: -64.880251
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -114.877211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.877211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.877211 (E_RNA)
where:
Base-Base interactions energy: -54.732
where: short stacking energy: -46.641
Base-Backbone interact. energy: -0.200
local terms energy: -59.945142
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -138.391413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.391413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.391413 (E_RNA)
where:
Base-Base interactions energy: -76.478
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.166
local terms energy: -61.747241
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -94.317763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.317763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.317763 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -36.435
Base-Backbone interact. energy: -0.008
local terms energy: -57.386370
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -89.667333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.667333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.667333 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.140
local terms energy: -56.768680
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -11.668
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: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -89.180872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180872 (E_RNA)
where:
Base-Base interactions energy: -40.313
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.055
local terms energy: -48.812719
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -222.823012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.823012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.823012 (E_RNA)
where:
Base-Base interactions energy: -139.540
where: short stacking energy: -78.344
Base-Backbone interact. energy: -0.002
local terms energy: -83.281040
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -24.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -216.394176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.394176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.394176 (E_RNA)
where:
Base-Base interactions energy: -132.936
where: short stacking energy: -77.132
Base-Backbone interact. energy: -0.039
local terms energy: -83.419641
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -207.272166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.272166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.272166 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -69.092
Base-Backbone interact. energy: 0.154
local terms energy: -77.061993
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -195.163188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.163188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.163188 (E_RNA)
where:
Base-Base interactions energy: -118.097
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.044
local terms energy: -77.022691
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -158.933437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.933437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.933437 (E_RNA)
where:
Base-Base interactions energy: -98.810
where: short stacking energy: -57.122
Base-Backbone interact. energy: 0.136
local terms energy: -60.259371
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -13.812
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: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -146.914129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.914129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.914129 (E_RNA)
where:
Base-Base interactions energy: -88.083
where: short stacking energy: -42.391
Base-Backbone interact. energy: 2.365
local terms energy: -61.195985
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.626
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: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -107.987440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.987440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.987440 (E_RNA)
where:
Base-Base interactions energy: -50.577
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.221
local terms energy: -57.189936
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -86.982360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.982360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.982360 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -32.070
Base-Backbone interact. energy: 1.123
local terms energy: -51.644934
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.411
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: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -93.646128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.646128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.646128 (E_RNA)
where:
Base-Base interactions energy: -34.530
where: short stacking energy: -34.530
Base-Backbone interact. energy: -0.119
local terms energy: -58.997148
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -91.956071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.956071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.956071 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.225
local terms energy: -57.867536
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.026
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: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -218.759486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.759486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.759486 (E_RNA)
where:
Base-Base interactions energy: -136.764
where: short stacking energy: -72.500
Base-Backbone interact. energy: -0.001
local terms energy: -81.993858
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -220.966833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.966833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.966833 (E_RNA)
where:
Base-Base interactions energy: -134.643
where: short stacking energy: -82.242
Base-Backbone interact. energy: -1.094
local terms energy: -85.229879
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -205.288170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.288170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.288170 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.084
local terms energy: -80.595263
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -187.060231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.060231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.060231 (E_RNA)
where:
Base-Base interactions energy: -114.497
where: short stacking energy: -60.221
Base-Backbone interact. energy: -0.314
local terms energy: -72.248552
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -16.418
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: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -157.197653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.197653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.197653 (E_RNA)
where:
Base-Base interactions energy: -87.274
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.004
local terms energy: -69.920134
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -20.590
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: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -134.449999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.449999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.449999 (E_RNA)
where:
Base-Base interactions energy: -74.344
where: short stacking energy: -40.375
Base-Backbone interact. energy: -0.264
local terms energy: -59.842576
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -101.474256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.474256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.474256 (E_RNA)
where:
Base-Base interactions energy: -49.178
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.340
local terms energy: -51.955863
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -90.215151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.215151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.215151 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.553
local terms energy: -50.362843
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -87.265867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.265867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.265867 (E_RNA)
where:
Base-Base interactions energy: -37.205
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.862
local terms energy: -49.198562
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -7.450
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -81.062188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.062188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.062188 (E_RNA)
where:
Base-Base interactions energy: -22.730
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.492
local terms energy: -57.840699
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -223.913504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.913504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.913504 (E_RNA)
where:
Base-Base interactions energy: -139.215
where: short stacking energy: -83.796
Base-Backbone interact. energy: -0.010
local terms energy: -84.689217
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -23.741
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: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -216.684330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.684330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.684330 (E_RNA)
where:
Base-Base interactions energy: -140.313
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.002
local terms energy: -76.369445
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -216.440488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.440488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.440488 (E_RNA)
where:
Base-Base interactions energy: -130.066
where: short stacking energy: -76.120
Base-Backbone interact. energy: -0.002
local terms energy: -86.373042
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -199.611420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.611420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.611420 (E_RNA)
where:
Base-Base interactions energy: -123.741
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.210
local terms energy: -75.660428
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -159.516011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.516011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.516011 (E_RNA)
where:
Base-Base interactions energy: -87.711
where: short stacking energy: -45.122
Base-Backbone interact. energy: -0.111
local terms energy: -71.694511
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.282
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: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -141.507814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.507814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.507814 (E_RNA)
where:
Base-Base interactions energy: -82.884
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.104
local terms energy: -58.520465
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.467
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: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -105.585687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.585687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.585687 (E_RNA)
where:
Base-Base interactions energy: -42.359
where: short stacking energy: -38.596
Base-Backbone interact. energy: -0.021
local terms energy: -63.205010
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -88.174330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.174330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.174330 (E_RNA)
where:
Base-Base interactions energy: -41.949
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.053
local terms energy: -46.172271
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -80.094394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.094394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.094394 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.108
local terms energy: -45.958281
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -78.568086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.568086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.568086 (E_RNA)
where:
Base-Base interactions energy: -24.826
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.022
local terms energy: -53.719633
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -218.936820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.936820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.936820 (E_RNA)
where:
Base-Base interactions energy: -132.425
where: short stacking energy: -75.060
Base-Backbone interact. energy: -0.041
local terms energy: -86.470699
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -22.934
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: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -207.105972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.105972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.105972 (E_RNA)
where:
Base-Base interactions energy: -126.099
where: short stacking energy: -68.107
Base-Backbone interact. energy: -1.217
local terms energy: -79.790092
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -199.275613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.275613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.275613 (E_RNA)
where:
Base-Base interactions energy: -118.275
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.000
local terms energy: -81.000198
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -21.961
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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -209.351326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.351326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.351326 (E_RNA)
where:
Base-Base interactions energy: -131.130
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.052
local terms energy: -78.168921
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -154.891931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.891931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.891931 (E_RNA)
where:
Base-Base interactions energy: -101.218
where: short stacking energy: -38.795
Base-Backbone interact. energy: -0.313
local terms energy: -53.360505
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -3.275
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: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -149.772627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.772627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.772627 (E_RNA)
where:
Base-Base interactions energy: -87.385
where: short stacking energy: -43.455
Base-Backbone interact. energy: -1.061
local terms energy: -61.326270
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -102.266531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.266531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.266531 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -46.831
Base-Backbone interact. energy: -0.068
local terms energy: -55.367526
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -116.885916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.885916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.885916 (E_RNA)
where:
Base-Base interactions energy: -54.662
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.063
local terms energy: -62.161423
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -92.926339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.926339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.926339 (E_RNA)
where:
Base-Base interactions energy: -45.824
where: short stacking energy: -28.097
Base-Backbone interact. energy: -0.237
local terms energy: -46.865463
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -85.794686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.794686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.794686 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -28.859
Base-Backbone interact. energy: 1.999
local terms energy: -58.234924
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -222.514723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.514723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.514723 (E_RNA)
where:
Base-Base interactions energy: -138.232
where: short stacking energy: -83.635
Base-Backbone interact. energy: -0.685
local terms energy: -83.597778
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -208.669272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.669272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.669272 (E_RNA)
where:
Base-Base interactions energy: -129.647
where: short stacking energy: -73.505
Base-Backbone interact. energy: -0.013
local terms energy: -79.009452
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -192.823699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.823699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.823699 (E_RNA)
where:
Base-Base interactions energy: -115.781
where: short stacking energy: -56.478
Base-Backbone interact. energy: -0.003
local terms energy: -77.038951
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -204.401670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.401670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.401670 (E_RNA)
where:
Base-Base interactions energy: -125.510
where: short stacking energy: -68.818
Base-Backbone interact. energy: -1.670
local terms energy: -77.222281
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -161.429651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.429651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.429651 (E_RNA)
where:
Base-Base interactions energy: -90.923
where: short stacking energy: -56.748
Base-Backbone interact. energy: 0.190
local terms energy: -70.697166
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -162.972546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.972546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.972546 (E_RNA)
where:
Base-Base interactions energy: -92.667
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.827
local terms energy: -69.477752
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -12.513
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: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -96.626369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.626369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.626369 (E_RNA)
where:
Base-Base interactions energy: -40.217
where: short stacking energy: -40.217
Base-Backbone interact. energy: -0.021
local terms energy: -56.388342
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -89.909400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.909400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.909400 (E_RNA)
where:
Base-Base interactions energy: -34.473
where: short stacking energy: -23.292
Base-Backbone interact. energy: -0.187
local terms energy: -55.248688
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -81.877765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.877765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.877765 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.089
local terms energy: -54.330482
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -7.559
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: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -92.741808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.741808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.741808 (E_RNA)
where:
Base-Base interactions energy: -44.422
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.361
local terms energy: -47.959216
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -1.426
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: 1, replica: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -217.853818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.853818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.853818 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -79.286
Base-Backbone interact. energy: -0.159
local terms energy: -80.026017
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -222.493965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.493965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.493965 (E_RNA)
where:
Base-Base interactions energy: -141.607
where: short stacking energy: -83.469
Base-Backbone interact. energy: -0.028
local terms energy: -80.858660
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -205.704619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.704619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.704619 (E_RNA)
where:
Base-Base interactions energy: -122.868
where: short stacking energy: -66.250
Base-Backbone interact. energy: -0.049
local terms energy: -82.787577
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -210.601384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601384 (E_RNA)
where:
Base-Base interactions energy: -130.023
where: short stacking energy: -75.343
Base-Backbone interact. energy: -0.006
local terms energy: -80.572387
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -149.788276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.788276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.788276 (E_RNA)
where:
Base-Base interactions energy: -83.313
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.525
local terms energy: -65.950216
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -142.784633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.784633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.784633 (E_RNA)
where:
Base-Base interactions energy: -89.284
where: short stacking energy: -51.073
Base-Backbone interact. energy: -0.330
local terms energy: -53.170843
where:
bonds (distance) C4'-P energy: -6.744
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -93.914964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.914964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.914964 (E_RNA)
where:
Base-Base interactions energy: -33.148
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.002
local terms energy: -60.764436
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -90.631412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.631412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.631412 (E_RNA)
where:
Base-Base interactions energy: -39.409
where: short stacking energy: -26.481
Base-Backbone interact. energy: 0.185
local terms energy: -51.407061
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -88.597535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.597535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.597535 (E_RNA)
where:
Base-Base interactions energy: -31.253
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.044
local terms energy: -57.300777
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.747
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: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -81.390931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.390931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.390931 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -17.705
Base-Backbone interact. energy: -0.151
local terms energy: -48.954688
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -213.045096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.045096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.045096 (E_RNA)
where:
Base-Base interactions energy: -127.097
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.044
local terms energy: -85.903877
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -213.956599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.956599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.956599 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -72.246
Base-Backbone interact. energy: -0.006
local terms energy: -80.065752
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -21.594
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: 473
Temperature: 1.000000
Total energy: -204.431865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.431865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.431865 (E_RNA)
where:
Base-Base interactions energy: -129.767
where: short stacking energy: -66.683
Base-Backbone interact. energy: 1.213
local terms energy: -75.877224
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -15.902
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: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -175.466136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.466136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.466136 (E_RNA)
where:
Base-Base interactions energy: -107.575
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.697
local terms energy: -67.193819
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -187.236969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.236969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.236969 (E_RNA)
where:
Base-Base interactions energy: -121.336
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.021
local terms energy: -65.879164
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -138.313505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.313505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.313505 (E_RNA)
where:
Base-Base interactions energy: -88.070
where: short stacking energy: -41.798
Base-Backbone interact. energy: -1.240
local terms energy: -49.002779
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -0.361
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -91.747252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747252 (E_RNA)
where:
Base-Base interactions energy: -29.255
where: short stacking energy: -29.255
Base-Backbone interact. energy: -0.354
local terms energy: -62.138350
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -106.474519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.474519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.474519 (E_RNA)
where:
Base-Base interactions energy: -43.156
where: short stacking energy: -43.156
Base-Backbone interact. energy: -0.105
local terms energy: -63.213466
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -94.042532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.042532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.042532 (E_RNA)
where:
Base-Base interactions energy: -40.796
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.607
local terms energy: -52.639533
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -6.687
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: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -82.403112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.403112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.403112 (E_RNA)
where:
Base-Base interactions energy: -46.122
where: short stacking energy: -32.983
Base-Backbone interact. energy: 0.780
local terms energy: -37.061067
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -4.722
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -6.022
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: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -217.256180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.256180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.256180 (E_RNA)
where:
Base-Base interactions energy: -130.809
where: short stacking energy: -83.071
Base-Backbone interact. energy: -0.030
local terms energy: -86.417246
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -211.180198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.180198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.180198 (E_RNA)
where:
Base-Base interactions energy: -130.820
where: short stacking energy: -67.255
Base-Backbone interact. energy: 0.067
local terms energy: -80.427090
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -189.514966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.514966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.514966 (E_RNA)
where:
Base-Base interactions energy: -119.879
where: short stacking energy: -63.560
Base-Backbone interact. energy: -0.154
local terms energy: -69.482663
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -207.927145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.927145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.927145 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.001
local terms energy: -76.233279
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -190.164729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.164729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.164729 (E_RNA)
where:
Base-Base interactions energy: -121.596
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.161
local terms energy: -68.408126
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -19.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -172.498534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.498534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.498534 (E_RNA)
where:
Base-Base interactions energy: -104.120
where: short stacking energy: -63.984
Base-Backbone interact. energy: 0.129
local terms energy: -68.507657
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -10.406
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: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -97.655000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.655000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.655000 (E_RNA)
where:
Base-Base interactions energy: -38.494
where: short stacking energy: -38.060
Base-Backbone interact. energy: -0.223
local terms energy: -58.937177
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -84.123243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.123243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.123243 (E_RNA)
where:
Base-Base interactions energy: -19.532
where: short stacking energy: -19.383
Base-Backbone interact. energy: -0.130
local terms energy: -64.461556
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -75.200702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.200702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.200702 (E_RNA)
where:
Base-Base interactions energy: -29.165
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.190
local terms energy: -45.846191
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -7.968
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -98.094758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.094758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.094758 (E_RNA)
where:
Base-Base interactions energy: -41.871
where: short stacking energy: -36.820
Base-Backbone interact. energy: -0.110
local terms energy: -56.114093
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -5.903
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: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -217.118706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.118706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.118706 (E_RNA)
where:
Base-Base interactions energy: -132.670
where: short stacking energy: -76.592
Base-Backbone interact. energy: -0.012
local terms energy: -84.437122
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -24.183
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: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -201.273708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.273708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.273708 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -77.635
Base-Backbone interact. energy: -0.164
local terms energy: -79.811268
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -21.821
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: 475
Temperature: 1.000000
Total energy: -179.569966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.569966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.569966 (E_RNA)
where:
Base-Base interactions energy: -108.631
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.003
local terms energy: -70.935954
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -197.869860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.869860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.869860 (E_RNA)
where:
Base-Base interactions energy: -122.995
where: short stacking energy: -71.874
Base-Backbone interact. energy: -0.338
local terms energy: -74.536940
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -185.658949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658949 (E_RNA)
where:
Base-Base interactions energy: -115.487
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.003
local terms energy: -70.169148
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -176.634895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.634895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.634895 (E_RNA)
where:
Base-Base interactions energy: -104.057
where: short stacking energy: -51.732
Base-Backbone interact. energy: 0.582
local terms energy: -73.159900
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -104.492466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.492466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.492466 (E_RNA)
where:
Base-Base interactions energy: -43.451
where: short stacking energy: -43.451
Base-Backbone interact. energy: -0.251
local terms energy: -60.790859
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -98.474775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.474775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.474775 (E_RNA)
where:
Base-Base interactions energy: -42.759
where: short stacking energy: -33.516
Base-Backbone interact. energy: -0.393
local terms energy: -55.322769
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -84.627884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627884 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.161
local terms energy: -51.382154
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -83.216455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216455 (E_RNA)
where:
Base-Base interactions energy: -28.307
where: short stacking energy: -27.072
Base-Backbone interact. energy: -0.201
local terms energy: -54.708072
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.251
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: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -222.270040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.270040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.270040 (E_RNA)
where:
Base-Base interactions energy: -139.908
where: short stacking energy: -82.272
Base-Backbone interact. energy: -0.002
local terms energy: -82.360225
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -213.433255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.433255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.433255 (E_RNA)
where:
Base-Base interactions energy: -133.799
where: short stacking energy: -75.810
Base-Backbone interact. energy: -0.001
local terms energy: -79.633379
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -193.790292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.790292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.790292 (E_RNA)
where:
Base-Base interactions energy: -119.144
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.214
local terms energy: -74.432029
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -196.773011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.773011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.773011 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -63.454
Base-Backbone interact. energy: -0.710
local terms energy: -72.622332
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -188.306711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306711 (E_RNA)
where:
Base-Base interactions energy: -119.409
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.017
local terms energy: -68.880980
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -155.708286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.708286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.708286 (E_RNA)
where:
Base-Base interactions energy: -88.280
where: short stacking energy: -48.168
Base-Backbone interact. energy: -0.888
local terms energy: -66.540665
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -10.645
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: 476
Temperature: 1.200000
Total energy: -93.465449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465449 (E_RNA)
where:
Base-Base interactions energy: -35.454
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.109
local terms energy: -57.902473
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -99.287096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.287096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.287096 (E_RNA)
where:
Base-Base interactions energy: -52.853
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.811
local terms energy: -45.623050
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -93.516540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.516540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.516540 (E_RNA)
where:
Base-Base interactions energy: -45.137
where: short stacking energy: -40.649
Base-Backbone interact. energy: -0.163
local terms energy: -48.217129
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -88.736254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.736254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.736254 (E_RNA)
where:
Base-Base interactions energy: -24.435
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.022
local terms energy: -64.278818
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -224.356630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.356630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.356630 (E_RNA)
where:
Base-Base interactions energy: -136.612
where: short stacking energy: -81.113
Base-Backbone interact. energy: -0.033
local terms energy: -87.711010
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -24.212
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: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -190.186419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.186419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.186419 (E_RNA)
where:
Base-Base interactions energy: -116.278
where: short stacking energy: -66.823
Base-Backbone interact. energy: -0.324
local terms energy: -73.584704
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -196.865130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.865130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.865130 (E_RNA)
where:
Base-Base interactions energy: -117.583
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.071
local terms energy: -79.211463
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -182.266136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.266136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.266136 (E_RNA)
where:
Base-Base interactions energy: -112.133
where: short stacking energy: -68.080
Base-Backbone interact. energy: -0.129
local terms energy: -70.004411
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -190.191237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.191237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.191237 (E_RNA)
where:
Base-Base interactions energy: -120.933
where: short stacking energy: -71.953
Base-Backbone interact. energy: -0.316
local terms energy: -68.943108
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -140.004733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.004733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.004733 (E_RNA)
where:
Base-Base interactions energy: -80.494
where: short stacking energy: -48.183
Base-Backbone interact. energy: -0.259
local terms energy: -59.252057
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -90.279614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279614 (E_RNA)
where:
Base-Base interactions energy: -43.241
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.017
local terms energy: -47.022258
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -90.962650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.962650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.962650 (E_RNA)
where:
Base-Base interactions energy: -42.269
where: short stacking energy: -33.334
Base-Backbone interact. energy: -0.361
local terms energy: -48.332338
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -97.017314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.017314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.017314 (E_RNA)
where:
Base-Base interactions energy: -38.162
where: short stacking energy: -38.162
Base-Backbone interact. energy: -0.098
local terms energy: -58.756592
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -81.335678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335678 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.107
local terms energy: -41.670151
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -7.217
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: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -208.402010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.402010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.402010 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.310
local terms energy: -77.997945
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -192.644166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.644166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.644166 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.020
local terms energy: -74.530976
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -185.840156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.840156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.840156 (E_RNA)
where:
Base-Base interactions energy: -111.533
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.156
local terms energy: -74.151248
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -18.735
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: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -198.068450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.068450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.068450 (E_RNA)
where:
Base-Base interactions energy: -127.235
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.105
local terms energy: -70.729085
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -187.318406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.318406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.318406 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.042
local terms energy: -70.875560
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -138.417581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.417581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.417581 (E_RNA)
where:
Base-Base interactions energy: -77.001
where: short stacking energy: -48.601
Base-Backbone interact. energy: -0.080
local terms energy: -61.336315
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -94.267563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267563 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.098
local terms energy: -58.980475
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -92.041452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.041452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.041452 (E_RNA)
where:
Base-Base interactions energy: -38.390
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.180
local terms energy: -53.471398
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -90.969733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.969733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.969733 (E_RNA)
where:
Base-Base interactions energy: -40.740
where: short stacking energy: -29.773
Base-Backbone interact. energy: 1.357
local terms energy: -51.586892
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -75.233230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.233230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.233230 (E_RNA)
where:
Base-Base interactions energy: -24.537
where: short stacking energy: -23.791
Base-Backbone interact. energy: -0.091
local terms energy: -50.605262
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -210.232188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.232188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.232188 (E_RNA)
where:
Base-Base interactions energy: -126.943
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.058
local terms energy: -83.230594
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -22.934
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: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -202.039158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.039158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.039158 (E_RNA)
where:
Base-Base interactions energy: -127.422
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.001
local terms energy: -74.616040
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -171.624731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.624731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.624731 (E_RNA)
where:
Base-Base interactions energy: -102.380
where: short stacking energy: -62.695
Base-Backbone interact. energy: 0.544
local terms energy: -69.789132
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -205.251741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.251741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.251741 (E_RNA)
where:
Base-Base interactions energy: -127.723
where: short stacking energy: -70.609
Base-Backbone interact. energy: -0.093
local terms energy: -77.435442
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -187.159062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.159062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.159062 (E_RNA)
where:
Base-Base interactions energy: -114.929
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.174
local terms energy: -72.055994
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -146.040386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.040386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.040386 (E_RNA)
where:
Base-Base interactions energy: -84.609
where: short stacking energy: -43.418
Base-Backbone interact. energy: 0.018
local terms energy: -61.449498
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -84.450526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.450526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.450526 (E_RNA)
where:
Base-Base interactions energy: -24.254
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.091
local terms energy: -60.106224
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -91.326359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.326359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.326359 (E_RNA)
where:
Base-Base interactions energy: -36.830
where: short stacking energy: -34.903
Base-Backbone interact. energy: 0.703
local terms energy: -55.199656
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -91.566678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566678 (E_RNA)
where:
Base-Base interactions energy: -30.853
where: short stacking energy: -30.853
Base-Backbone interact. energy: -0.043
local terms energy: -60.670727
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.639518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.639518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.639518 (E_RNA)
where:
Base-Base interactions energy: -29.676
where: short stacking energy: -29.676
Base-Backbone interact. energy: 0.460
local terms energy: -50.423394
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -221.225234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.225234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.225234 (E_RNA)
where:
Base-Base interactions energy: -139.681
where: short stacking energy: -78.451
Base-Backbone interact. energy: -0.030
local terms energy: -81.513360
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -20.807
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -197.150852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.150852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.150852 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.383
local terms energy: -75.414633
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -192.723020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.723020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.723020 (E_RNA)
where:
Base-Base interactions energy: -123.898
where: short stacking energy: -57.670
Base-Backbone interact. energy: -0.089
local terms energy: -68.735661
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -157.111131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.111131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.111131 (E_RNA)
where:
Base-Base interactions energy: -98.297
where: short stacking energy: -49.255
Base-Backbone interact. energy: 2.655
local terms energy: -61.468891
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -11.899
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: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -182.022091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.022091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.022091 (E_RNA)
where:
Base-Base interactions energy: -109.280
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.113
local terms energy: -72.629269
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -150.092045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.092045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.092045 (E_RNA)
where:
Base-Base interactions energy: -82.829
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.031
local terms energy: -67.231556
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -18.544
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: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -95.995766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.995766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.995766 (E_RNA)
where:
Base-Base interactions energy: -40.488
where: short stacking energy: -39.438
Base-Backbone interact. energy: -0.202
local terms energy: -55.306192
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -5.247
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: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -88.474950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.474950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.474950 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -35.698
Base-Backbone interact. energy: -0.026
local terms energy: -49.161215
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -98.717044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.717044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.717044 (E_RNA)
where:
Base-Base interactions energy: -44.783
where: short stacking energy: -32.646
Base-Backbone interact. energy: -0.143
local terms energy: -53.790510
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -77.363489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.363489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.363489 (E_RNA)
where:
Base-Base interactions energy: -30.287
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.165
local terms energy: -46.911725
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -218.199341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199341 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -77.695
Base-Backbone interact. energy: 0.118
local terms energy: -84.661859
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -215.332929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.332929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.332929 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.000
local terms energy: -77.593689
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -188.133345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.133345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.133345 (E_RNA)
where:
Base-Base interactions energy: -110.339
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.374
local terms energy: -77.420462
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -195.007431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.007431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.007431 (E_RNA)
where:
Base-Base interactions energy: -122.195
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.194
local terms energy: -72.619001
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -164.618921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.618921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.618921 (E_RNA)
where:
Base-Base interactions energy: -102.100
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.285
local terms energy: -62.233937
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -102.270820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.270820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.270820 (E_RNA)
where:
Base-Base interactions energy: -40.032
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.138
local terms energy: -62.101473
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -140.514014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.514014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.514014 (E_RNA)
where:
Base-Base interactions energy: -76.781
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.187
local terms energy: -63.546025
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.647
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: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -82.915173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.915173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.915173 (E_RNA)
where:
Base-Base interactions energy: -33.867
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.056
local terms energy: -48.992111
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -87.183337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.183337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.183337 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.086
local terms energy: -55.172992
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -82.792385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.792385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.792385 (E_RNA)
where:
Base-Base interactions energy: -26.704
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.055
local terms energy: -56.032945
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -222.444074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.444074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.444074 (E_RNA)
where:
Base-Base interactions energy: -135.298
where: short stacking energy: -82.253
Base-Backbone interact. energy: -0.045
local terms energy: -87.101293
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -211.105974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.105974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.105974 (E_RNA)
where:
Base-Base interactions energy: -129.025
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.053
local terms energy: -82.027962
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -22.916
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: 482
Temperature: 1.000000
Total energy: -221.169853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.169853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.169853 (E_RNA)
where:
Base-Base interactions energy: -138.711
where: short stacking energy: -79.826
Base-Backbone interact. energy: -0.002
local terms energy: -82.456518
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -189.374513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.374513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.374513 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.042
local terms energy: -73.851286
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -147.657888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.657888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.657888 (E_RNA)
where:
Base-Base interactions energy: -86.438
where: short stacking energy: -51.301
Base-Backbone interact. energy: -0.122
local terms energy: -61.097385
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -145.702912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.702912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.702912 (E_RNA)
where:
Base-Base interactions energy: -85.510
where: short stacking energy: -57.183
Base-Backbone interact. energy: 1.088
local terms energy: -61.281407
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -12.026
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: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -148.351746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.351746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.351746 (E_RNA)
where:
Base-Base interactions energy: -91.048
where: short stacking energy: -40.380
Base-Backbone interact. energy: -0.394
local terms energy: -56.908900
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -82.564638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.564638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.564638 (E_RNA)
where:
Base-Base interactions energy: -31.475
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.073
local terms energy: -51.016586
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -7.953
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: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -84.983374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.983374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.983374 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -29.750
Base-Backbone interact. energy: -0.280
local terms energy: -54.953599
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -81.996637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.996637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.996637 (E_RNA)
where:
Base-Base interactions energy: -16.238
where: short stacking energy: -16.338
Base-Backbone interact. energy: 0.478
local terms energy: -66.236336
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.821
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: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -213.238201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.238201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.238201 (E_RNA)
where:
Base-Base interactions energy: -128.726
where: short stacking energy: -79.474
Base-Backbone interact. energy: -2.202
local terms energy: -82.310988
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -211.086636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.086636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.086636 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -81.971
Base-Backbone interact. energy: -0.066
local terms energy: -80.664313
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -220.083094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.083094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.083094 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -85.654
Base-Backbone interact. energy: -0.004
local terms energy: -87.014291
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -197.665806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.665806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.665806 (E_RNA)
where:
Base-Base interactions energy: -119.919
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.458
local terms energy: -77.289182
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -153.651267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.651267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.651267 (E_RNA)
where:
Base-Base interactions energy: -93.551
where: short stacking energy: -53.395
Base-Backbone interact. energy: -0.221
local terms energy: -59.878998
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -1.193
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -133.652614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.652614 (E_RNA)
where:
Base-Base interactions energy: -76.514
where: short stacking energy: -37.043
Base-Backbone interact. energy: -0.399
local terms energy: -56.739215
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -11.696
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: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -105.365521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.365521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.365521 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.001
local terms energy: -61.870316
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -82.523092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.523092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.523092 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.262
local terms energy: -52.069030
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -87.019224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019224 (E_RNA)
where:
Base-Base interactions energy: -30.686
where: short stacking energy: -30.686
Base-Backbone interact. energy: -0.076
local terms energy: -56.257383
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -87.772024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.772024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.772024 (E_RNA)
where:
Base-Base interactions energy: -38.442
where: short stacking energy: -38.442
Base-Backbone interact. energy: 0.300
local terms energy: -49.630834
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -6.655
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -11.044
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: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -204.190755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.190755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.190755 (E_RNA)
where:
Base-Base interactions energy: -123.078
where: short stacking energy: -63.747
Base-Backbone interact. energy: -0.236
local terms energy: -80.876729
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -16.960
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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -219.309472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.309472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.309472 (E_RNA)
where:
Base-Base interactions energy: -130.482
where: short stacking energy: -83.174
Base-Backbone interact. energy: -0.002
local terms energy: -88.825628
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -24.177
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -211.379674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.379674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.379674 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.091
local terms energy: -76.448403
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -190.322247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.322247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.322247 (E_RNA)
where:
Base-Base interactions energy: -117.651
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.082
local terms energy: -72.589064
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -174.129697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.129697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.129697 (E_RNA)
where:
Base-Base interactions energy: -105.475
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.001
local terms energy: -68.653994
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -142.155204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155204 (E_RNA)
where:
Base-Base interactions energy: -89.029
where: short stacking energy: -52.751
Base-Backbone interact. energy: -0.063
local terms energy: -53.063665
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -99.617315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.617315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.617315 (E_RNA)
where:
Base-Base interactions energy: -47.754
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.001
local terms energy: -51.862264
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -94.203962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.203962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.203962 (E_RNA)
where:
Base-Base interactions energy: -49.407
where: short stacking energy: -37.148
Base-Backbone interact. energy: 0.870
local terms energy: -45.666350
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -86.967935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.967935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.967935 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.109
local terms energy: -58.297151
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.183
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: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -95.571893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571893 (E_RNA)
where:
Base-Base interactions energy: -45.639
where: short stacking energy: -45.320
Base-Backbone interact. energy: -0.331
local terms energy: -49.601579
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -6.476
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: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -223.224394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.224394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.224394 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.526
local terms energy: -89.013661
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -24.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -222.160096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.160096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.160096 (E_RNA)
where:
Base-Base interactions energy: -137.327
where: short stacking energy: -81.557
Base-Backbone interact. energy: -0.008
local terms energy: -84.825393
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -213.982863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.982863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.982863 (E_RNA)
where:
Base-Base interactions energy: -136.005
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.023
local terms energy: -77.954642
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -172.179062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.179062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.179062 (E_RNA)
where:
Base-Base interactions energy: -98.970
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.087
local terms energy: -73.122455
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -14.382
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: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -181.206011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.206011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206011 (E_RNA)
where:
Base-Base interactions energy: -113.783
where: short stacking energy: -65.171
Base-Backbone interact. energy: -1.124
local terms energy: -66.299602
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -11.535
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: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -132.860192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.860192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.860192 (E_RNA)
where:
Base-Base interactions energy: -69.109
where: short stacking energy: -40.120
Base-Backbone interact. energy: -0.180
local terms energy: -63.571205
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -101.456467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.456467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.456467 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.457
local terms energy: -54.777727
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -11.126
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: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -84.105580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.105580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.105580 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.117
local terms energy: -53.596891
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -3.737
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: 485
Temperature: 1.300000
Total energy: -87.625701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.625701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.625701 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.093
local terms energy: -55.609248
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -76.439047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.439047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.439047 (E_RNA)
where:
Base-Base interactions energy: -38.904
where: short stacking energy: -24.290
Base-Backbone interact. energy: 1.908
local terms energy: -39.443062
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: 0.333
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -223.080546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.080546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.080546 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -84.305
Base-Backbone interact. energy: -0.991
local terms energy: -83.921301
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -209.803012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.803012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.803012 (E_RNA)
where:
Base-Base interactions energy: -125.904
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.124
local terms energy: -83.774913
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -210.230436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.230436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.230436 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.001
local terms energy: -79.997552
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -181.949099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.949099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.949099 (E_RNA)
where:
Base-Base interactions energy: -106.083
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.013
local terms energy: -75.853233
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -195.886647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.886647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.886647 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -75.067
Base-Backbone interact. energy: -0.010
local terms energy: -70.608147
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -19.416
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: 486
Temperature: 1.150000
Total energy: -94.014782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.014782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.014782 (E_RNA)
where:
Base-Base interactions energy: -44.303
where: short stacking energy: -37.572
Base-Backbone interact. energy: -0.014
local terms energy: -49.698235
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -112.608494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.608494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.608494 (E_RNA)
where:
Base-Base interactions energy: -43.844
where: short stacking energy: -43.844
Base-Backbone interact. energy: -0.026
local terms energy: -68.738804
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -86.849749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.849749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.849749 (E_RNA)
where:
Base-Base interactions energy: -35.821
where: short stacking energy: -27.811
Base-Backbone interact. energy: 0.298
local terms energy: -51.327068
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -89.985100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.985100 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -34.515
Base-Backbone interact. energy: -0.051
local terms energy: -55.418788
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -78.074518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.074518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.074518 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -31.660
Base-Backbone interact. energy: 3.524
local terms energy: -49.938791
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -8.057
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -221.109387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.109387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.109387 (E_RNA)
where:
Base-Base interactions energy: -134.328
where: short stacking energy: -75.860
Base-Backbone interact. energy: -3.104
local terms energy: -83.677475
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -22.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -214.334571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.334571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.334571 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.085
local terms energy: -77.554098
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -190.478091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.478091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.478091 (E_RNA)
where:
Base-Base interactions energy: -117.581
where: short stacking energy: -56.392
Base-Backbone interact. energy: -0.359
local terms energy: -72.538225
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -16.848
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: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -198.893558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.893558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.893558 (E_RNA)
where:
Base-Base interactions energy: -128.699
where: short stacking energy: -72.660
Base-Backbone interact. energy: -0.053
local terms energy: -70.142434
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -164.016619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.016619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.016619 (E_RNA)
where:
Base-Base interactions energy: -95.028
where: short stacking energy: -53.057
Base-Backbone interact. energy: -0.070
local terms energy: -68.919033
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -14.448
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: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -101.638422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.638422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.638422 (E_RNA)
where:
Base-Base interactions energy: -51.751
where: short stacking energy: -40.360
Base-Backbone interact. energy: 0.217
local terms energy: -50.104345
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -8.698
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: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -136.466372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.466372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.466372 (E_RNA)
where:
Base-Base interactions energy: -78.931
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.122
local terms energy: -57.413746
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -0.551
tors. eta vs tors. theta energy: -11.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -98.751720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.751720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.751720 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -36.351
Base-Backbone interact. energy: -0.041
local terms energy: -60.356428
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -92.324035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.324035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.324035 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -29.138
Base-Backbone interact. energy: -0.052
local terms energy: -53.616552
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -82.646553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646553 (E_RNA)
where:
Base-Base interactions energy: -31.419
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.345
local terms energy: -50.882559
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -197.311666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.311666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311666 (E_RNA)
where:
Base-Base interactions energy: -123.807
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.017
local terms energy: -73.487407
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -209.457771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.457771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.457771 (E_RNA)
where:
Base-Base interactions energy: -129.480
where: short stacking energy: -77.398
Base-Backbone interact. energy: -1.426
local terms energy: -78.551974
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -197.855461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.855461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.855461 (E_RNA)
where:
Base-Base interactions energy: -118.520
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.001
local terms energy: -79.334311
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -212.279852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.279852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.279852 (E_RNA)
where:
Base-Base interactions energy: -133.094
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.050
local terms energy: -79.135971
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -163.866339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.866339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.866339 (E_RNA)
where:
Base-Base interactions energy: -95.881
where: short stacking energy: -46.090
Base-Backbone interact. energy: -0.011
local terms energy: -67.973997
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -104.296576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.296576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.296576 (E_RNA)
where:
Base-Base interactions energy: -43.773
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.039
local terms energy: -60.484672
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -6.158
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: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -143.626692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.626692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.626692 (E_RNA)
where:
Base-Base interactions energy: -89.512
where: short stacking energy: -44.116
Base-Backbone interact. energy: -0.135
local terms energy: -53.979747
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -12.082
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: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -96.108551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.108551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.108551 (E_RNA)
where:
Base-Base interactions energy: -38.247
where: short stacking energy: -38.246
Base-Backbone interact. energy: -0.133
local terms energy: -57.728701
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -5.946
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: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -79.744496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.744496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.744496 (E_RNA)
where:
Base-Base interactions energy: -32.215
where: short stacking energy: -27.356
Base-Backbone interact. energy: 0.148
local terms energy: -47.676602
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -80.568732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.568732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.568732 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.222
local terms energy: -53.361937
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -211.044078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.044078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.044078 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -76.627
Base-Backbone interact. energy: -1.419
local terms energy: -79.976444
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -21.963
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: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -209.354625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.354625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.354625 (E_RNA)
where:
Base-Base interactions energy: -132.168
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.003
local terms energy: -77.184280
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -211.829451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.829451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.829451 (E_RNA)
where:
Base-Base interactions energy: -125.571
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.023
local terms energy: -86.235458
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -25.295
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: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -202.950301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950301 (E_RNA)
where:
Base-Base interactions energy: -123.537
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.417
local terms energy: -78.996820
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -22.391
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: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -172.033368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.033368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.033368 (E_RNA)
where:
Base-Base interactions energy: -102.972
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.094
local terms energy: -68.967243
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -154.508321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.508321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.508321 (E_RNA)
where:
Base-Base interactions energy: -94.510
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.016
local terms energy: -59.982805
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -106.667946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.667946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.667946 (E_RNA)
where:
Base-Base interactions energy: -43.811
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.008
local terms energy: -62.849080
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -130.763063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.763063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.763063 (E_RNA)
where:
Base-Base interactions energy: -74.925
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.202
local terms energy: -55.636186
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -83.962312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.962312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.962312 (E_RNA)
where:
Base-Base interactions energy: -28.243
where: short stacking energy: -28.243
Base-Backbone interact. energy: -1.469
local terms energy: -54.250097
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.581
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: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -87.513219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.513219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.513219 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -26.379
Base-Backbone interact. energy: -0.248
local terms energy: -46.253551
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -220.834046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.834046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.834046 (E_RNA)
where:
Base-Base interactions energy: -136.128
where: short stacking energy: -80.092
Base-Backbone interact. energy: -0.007
local terms energy: -84.698451
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -212.557366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.557366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.557366 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.025
local terms energy: -80.762421
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -23.120
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: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -210.417278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.417278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.417278 (E_RNA)
where:
Base-Base interactions energy: -124.381
where: short stacking energy: -76.569
Base-Backbone interact. energy: -0.012
local terms energy: -86.024925
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -198.042168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.042168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.042168 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -68.072
Base-Backbone interact. energy: -0.276
local terms energy: -75.674690
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -17.441
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: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -174.510316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510316 (E_RNA)
where:
Base-Base interactions energy: -106.518
where: short stacking energy: -64.005
Base-Backbone interact. energy: -0.093
local terms energy: -67.899029
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -154.054253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.054253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.054253 (E_RNA)
where:
Base-Base interactions energy: -89.307
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.000
local terms energy: -64.746872
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -147.602967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.602967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.602967 (E_RNA)
where:
Base-Base interactions energy: -87.189
where: short stacking energy: -43.222
Base-Backbone interact. energy: -0.222
local terms energy: -60.192231
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -101.030297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.030297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.030297 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.141
local terms energy: -57.335649
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -85.518942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.518942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.518942 (E_RNA)
where:
Base-Base interactions energy: -24.724
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.032
local terms energy: -60.762314
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -69.902101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.902101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.902101 (E_RNA)
where:
Base-Base interactions energy: -23.107
where: short stacking energy: -23.107
Base-Backbone interact. energy: -0.114
local terms energy: -46.681084
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -213.085147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.085147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.085147 (E_RNA)
where:
Base-Base interactions energy: -129.761
where: short stacking energy: -76.991
Base-Backbone interact. energy: -0.009
local terms energy: -83.315890
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -207.160124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.160124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.160124 (E_RNA)
where:
Base-Base interactions energy: -133.620
where: short stacking energy: -76.082
Base-Backbone interact. energy: -0.026
local terms energy: -73.514627
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -20.886
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: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -204.855259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.855259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.855259 (E_RNA)
where:
Base-Base interactions energy: -126.492
where: short stacking energy: -75.146
Base-Backbone interact. energy: -0.005
local terms energy: -78.358593
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -199.134864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134864 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -74.573
Base-Backbone interact. energy: -0.060
local terms energy: -81.803530
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -188.214143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.214143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.214143 (E_RNA)
where:
Base-Base interactions energy: -122.505
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.063
local terms energy: -65.646740
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -153.883028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.883028 (E_RNA)
where:
Base-Base interactions energy: -91.507
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.199
local terms energy: -62.176816
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -143.957603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.957603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.957603 (E_RNA)
where:
Base-Base interactions energy: -81.631
where: short stacking energy: -49.575
Base-Backbone interact. energy: -0.645
local terms energy: -61.681694
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -15.184
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: 491
Temperature: 1.250000
Total energy: -104.382583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.382583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.382583 (E_RNA)
where:
Base-Base interactions energy: -46.140
where: short stacking energy: -41.466
Base-Backbone interact. energy: -0.174
local terms energy: -58.068896
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -108.097022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.097022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.097022 (E_RNA)
where:
Base-Base interactions energy: -55.763
where: short stacking energy: -28.518
Base-Backbone interact. energy: -0.123
local terms energy: -52.211209
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -9.372
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: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -85.165658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.165658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.165658 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -30.725
Base-Backbone interact. energy: -0.148
local terms energy: -54.292564
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -217.407711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.407711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.407711 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -74.254
Base-Backbone interact. energy: -0.005
local terms energy: -77.710514
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -212.819893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.819893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.819893 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -77.336
Base-Backbone interact. energy: -0.002
local terms energy: -78.232941
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -197.154194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.154194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.154194 (E_RNA)
where:
Base-Base interactions energy: -126.747
where: short stacking energy: -74.487
Base-Backbone interact. energy: 0.787
local terms energy: -71.194304
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -174.284691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.284691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.284691 (E_RNA)
where:
Base-Base interactions energy: -92.930
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.515
local terms energy: -80.839138
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -142.808198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.808198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.808198 (E_RNA)
where:
Base-Base interactions energy: -80.499
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.086
local terms energy: -62.223378
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -170.832061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.832061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.832061 (E_RNA)
where:
Base-Base interactions energy: -107.145
where: short stacking energy: -46.946
Base-Backbone interact. energy: -0.394
local terms energy: -63.292498
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -10.458
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: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -148.378268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.378268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.378268 (E_RNA)
where:
Base-Base interactions energy: -89.217
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.123
local terms energy: -59.038503
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -2.870
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -89.281182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.281182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.281182 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.046
local terms energy: -51.517057
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -83.556013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.556013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.556013 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.195
local terms energy: -55.862239
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -86.788350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.788350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.788350 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -30.768
Base-Backbone interact. energy: -0.074
local terms energy: -49.504692
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -1.259
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: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -217.138274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.138274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.138274 (E_RNA)
where:
Base-Base interactions energy: -134.143
where: short stacking energy: -81.898
Base-Backbone interact. energy: -0.028
local terms energy: -82.966682
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -210.675791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.675791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.675791 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -75.522
Base-Backbone interact. energy: -0.062
local terms energy: -83.289891
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -202.349408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.349408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.349408 (E_RNA)
where:
Base-Base interactions energy: -125.795
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.943
local terms energy: -75.611802
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -176.709707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709707 (E_RNA)
where:
Base-Base interactions energy: -104.295
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.682
local terms energy: -71.732165
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -15.803
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: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -161.493276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.493276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.493276 (E_RNA)
where:
Base-Base interactions energy: -98.159
where: short stacking energy: -57.444
Base-Backbone interact. energy: -0.084
local terms energy: -63.250842
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -178.498231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.498231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.498231 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.125
local terms energy: -62.629068
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -151.544558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.544558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.544558 (E_RNA)
where:
Base-Base interactions energy: -95.488
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.486
local terms energy: -55.570476
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -7.076
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -90.163431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.163431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.163431 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.093
local terms energy: -58.203937
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -100.669917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.669917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.669917 (E_RNA)
where:
Base-Base interactions energy: -42.878
where: short stacking energy: -40.016
Base-Backbone interact. energy: -0.035
local terms energy: -57.757518
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -82.142127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.142127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.142127 (E_RNA)
where:
Base-Base interactions energy: -25.926
where: short stacking energy: -25.926
Base-Backbone interact. energy: -0.120
local terms energy: -56.096895
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -233.911479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.911479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.911479 (E_RNA)
where:
Base-Base interactions energy: -141.094
where: short stacking energy: -87.355
Base-Backbone interact. energy: -0.013
local terms energy: -92.805112
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -208.277801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.277801 (E_RNA)
where:
Base-Base interactions energy: -121.771
where: short stacking energy: -71.891
Base-Backbone interact. energy: -2.065
local terms energy: -84.441698
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -191.110770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.110770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.110770 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -72.776
Base-Backbone interact. energy: 0.577
local terms energy: -73.133155
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -22.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -211.413051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413051 (E_RNA)
where:
Base-Base interactions energy: -124.889
where: short stacking energy: -74.236
Base-Backbone interact. energy: -0.017
local terms energy: -86.507412
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -192.493252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.493252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.493252 (E_RNA)
where:
Base-Base interactions energy: -117.900
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.046
local terms energy: -74.547594
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -150.181949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.181949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.181949 (E_RNA)
where:
Base-Base interactions energy: -85.061
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.290
local terms energy: -64.830378
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -100.515265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.515265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.515265 (E_RNA)
where:
Base-Base interactions energy: -42.151
where: short stacking energy: -42.151
Base-Backbone interact. energy: -0.066
local terms energy: -58.297943
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -156.405030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.405030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.405030 (E_RNA)
where:
Base-Base interactions energy: -90.792
where: short stacking energy: -42.822
Base-Backbone interact. energy: 0.039
local terms energy: -65.651649
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -14.595
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -77.947334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.947334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.947334 (E_RNA)
where:
Base-Base interactions energy: -25.841
where: short stacking energy: -25.841
Base-Backbone interact. energy: -0.293
local terms energy: -51.813598
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -80.442791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.442791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.442791 (E_RNA)
where:
Base-Base interactions energy: -21.139
where: short stacking energy: -16.948
Base-Backbone interact. energy: 0.276
local terms energy: -59.579827
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -221.555204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.555204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.555204 (E_RNA)
where:
Base-Base interactions energy: -135.764
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.013
local terms energy: -85.778230
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -208.504928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504928 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.002
local terms energy: -75.093509
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -185.571872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.571872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.571872 (E_RNA)
where:
Base-Base interactions energy: -108.136
where: short stacking energy: -63.062
Base-Backbone interact. energy: 0.951
local terms energy: -78.387001
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -194.952030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.952030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.952030 (E_RNA)
where:
Base-Base interactions energy: -114.166
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.003
local terms energy: -80.782332
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -18.932
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: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -173.126566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.126566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.126566 (E_RNA)
where:
Base-Base interactions energy: -108.124
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.184
local terms energy: -64.818215
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -139.177334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.177334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.177334 (E_RNA)
where:
Base-Base interactions energy: -82.145
where: short stacking energy: -42.168
Base-Backbone interact. energy: -0.319
local terms energy: -56.713238
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -95.983792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.983792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.983792 (E_RNA)
where:
Base-Base interactions energy: -40.073
where: short stacking energy: -33.743
Base-Backbone interact. energy: -0.258
local terms energy: -55.652430
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -10.168
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: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -143.757014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.757014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.757014 (E_RNA)
where:
Base-Base interactions energy: -81.585
where: short stacking energy: -37.438
Base-Backbone interact. energy: -0.156
local terms energy: -62.016433
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -92.681718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.681718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.681718 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -38.810
Base-Backbone interact. energy: -0.142
local terms energy: -54.929895
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -74.900752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.900752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.900752 (E_RNA)
where:
Base-Base interactions energy: -30.368
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.096
local terms energy: -44.437488
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -1.726
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: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -217.617386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617386 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -81.935
Base-Backbone interact. energy: 0.036
local terms energy: -83.805596
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -209.700512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.700512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.700512 (E_RNA)
where:
Base-Base interactions energy: -130.221
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.001
local terms energy: -79.478766
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -175.440430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.440430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.440430 (E_RNA)
where:
Base-Base interactions energy: -100.256
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.184
local terms energy: -75.000639
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -188.891788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.891788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.891788 (E_RNA)
where:
Base-Base interactions energy: -119.874
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.200
local terms energy: -68.818335
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -190.560991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.560991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.560991 (E_RNA)
where:
Base-Base interactions energy: -119.278
where: short stacking energy: -71.446
Base-Backbone interact. energy: 0.441
local terms energy: -71.723654
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -19.647
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: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -137.515408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.515408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.515408 (E_RNA)
where:
Base-Base interactions energy: -75.678
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.018
local terms energy: -61.820022
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -12.333
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: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -146.469378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.469378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.469378 (E_RNA)
where:
Base-Base interactions energy: -89.938
where: short stacking energy: -51.389
Base-Backbone interact. energy: -0.604
local terms energy: -55.927073
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -101.184864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.184864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.184864 (E_RNA)
where:
Base-Base interactions energy: -46.954
where: short stacking energy: -28.388
Base-Backbone interact. energy: -0.128
local terms energy: -54.103112
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -5.635
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: 9, replica: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -75.429538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.429538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.429538 (E_RNA)
where:
Base-Base interactions energy: -27.295
where: short stacking energy: -18.813
Base-Backbone interact. energy: -0.264
local terms energy: -47.871298
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: 0.163
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: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -75.173968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.173968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.173968 (E_RNA)
where:
Base-Base interactions energy: -26.425
where: short stacking energy: -18.288
Base-Backbone interact. energy: -1.342
local terms energy: -47.407946
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -1.620
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -217.026370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.026370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.026370 (E_RNA)
where:
Base-Base interactions energy: -131.388
where: short stacking energy: -75.309
Base-Backbone interact. energy: -2.160
local terms energy: -83.478578
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -173.809279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.809279 (E_RNA)
where:
Base-Base interactions energy: -104.045
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.157
local terms energy: -69.608096
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -209.624699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.624699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.624699 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -76.570
Base-Backbone interact. energy: -0.070
local terms energy: -76.175406
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -20.749
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: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -194.345761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.345761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.345761 (E_RNA)
where:
Base-Base interactions energy: -116.565
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.025
local terms energy: -77.755339
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -192.345425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.345425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.345425 (E_RNA)
where:
Base-Base interactions energy: -117.485
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.102
local terms energy: -74.758624
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -152.291928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.291928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.291928 (E_RNA)
where:
Base-Base interactions energy: -92.155
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.182
local terms energy: -59.955219
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -143.295223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.295223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.295223 (E_RNA)
where:
Base-Base interactions energy: -83.190
where: short stacking energy: -44.913
Base-Backbone interact. energy: -0.191
local terms energy: -59.914929
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -94.325409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.325409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.325409 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -28.482
Base-Backbone interact. energy: 0.015
local terms energy: -62.854446
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -8.445
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: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -94.837762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.837762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.837762 (E_RNA)
where:
Base-Base interactions energy: -49.422
where: short stacking energy: -28.224
Base-Backbone interact. energy: -1.040
local terms energy: -44.375281
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -1.635
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: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -89.802977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.802977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.802977 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -36.415
Base-Backbone interact. energy: -0.023
local terms energy: -49.932148
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -215.215193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.215193 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.020
local terms energy: -78.297403
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -186.233895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.233895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.233895 (E_RNA)
where:
Base-Base interactions energy: -111.542
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.038
local terms energy: -74.653543
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -190.078455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.078455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.078455 (E_RNA)
where:
Base-Base interactions energy: -122.917
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.194
local terms energy: -66.967435
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -184.715099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.715099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.715099 (E_RNA)
where:
Base-Base interactions energy: -110.852
where: short stacking energy: -70.953
Base-Backbone interact. energy: -0.008
local terms energy: -73.855968
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -173.613701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.613701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.613701 (E_RNA)
where:
Base-Base interactions energy: -104.262
where: short stacking energy: -53.397
Base-Backbone interact. energy: -0.085
local terms energy: -69.267175
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -170.061874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.061874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.061874 (E_RNA)
where:
Base-Base interactions energy: -104.046
where: short stacking energy: -54.243
Base-Backbone interact. energy: 0.288
local terms energy: -66.303651
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -8.212
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -129.321464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.321464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.321464 (E_RNA)
where:
Base-Base interactions energy: -70.454
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.408
local terms energy: -58.459109
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -86.943261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943261 (E_RNA)
where:
Base-Base interactions energy: -29.468
where: short stacking energy: -29.468
Base-Backbone interact. energy: -0.253
local terms energy: -57.222641
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -87.023224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.023224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.023224 (E_RNA)
where:
Base-Base interactions energy: -33.776
where: short stacking energy: -21.881
Base-Backbone interact. energy: -0.094
local terms energy: -53.152994
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -87.586127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.586127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.586127 (E_RNA)
where:
Base-Base interactions energy: -45.975
where: short stacking energy: -45.975
Base-Backbone interact. energy: -0.271
local terms energy: -41.340724
where:
bonds (distance) C4'-P energy: -5.788
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -5.239
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -10.136
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: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -225.603903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.603903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.603903 (E_RNA)
where:
Base-Base interactions energy: -140.633
where: short stacking energy: -80.119
Base-Backbone interact. energy: -1.866
local terms energy: -83.104923
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -186.204573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.204573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.204573 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.160
local terms energy: -72.690857
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -14.769
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: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -207.703962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.703962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.703962 (E_RNA)
where:
Base-Base interactions energy: -128.948
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.022
local terms energy: -78.734573
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -174.159849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.159849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.159849 (E_RNA)
where:
Base-Base interactions energy: -106.684
where: short stacking energy: -60.957
Base-Backbone interact. energy: -1.207
local terms energy: -66.268374
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.719
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: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -181.654941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.654941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.654941 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -57.840
Base-Backbone interact. energy: 0.339
local terms energy: -68.362247
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -14.622
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: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -158.320270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.320270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.320270 (E_RNA)
where:
Base-Base interactions energy: -94.074
where: short stacking energy: -48.523
Base-Backbone interact. energy: -0.030
local terms energy: -64.215762
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -15.231
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: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -99.324476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324476 (E_RNA)
where:
Base-Base interactions energy: -35.640
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.159
local terms energy: -63.525484
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -85.845554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.845554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.845554 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.435
local terms energy: -49.280494
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -78.995150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.995150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.995150 (E_RNA)
where:
Base-Base interactions energy: -29.232
where: short stacking energy: -25.462
Base-Backbone interact. energy: -0.410
local terms energy: -49.353402
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -75.187299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.187299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.187299 (E_RNA)
where:
Base-Base interactions energy: -27.245
where: short stacking energy: -24.443
Base-Backbone interact. energy: 0.344
local terms energy: -48.286145
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -220.484362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.484362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.484362 (E_RNA)
where:
Base-Base interactions energy: -137.273
where: short stacking energy: -85.087
Base-Backbone interact. energy: -0.026
local terms energy: -83.184668
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -191.148152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.148152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.148152 (E_RNA)
where:
Base-Base interactions energy: -112.218
where: short stacking energy: -68.309
Base-Backbone interact. energy: -0.027
local terms energy: -78.902540
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -197.311656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.311656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311656 (E_RNA)
where:
Base-Base interactions energy: -125.924
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.265
local terms energy: -71.121795
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -181.077400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.077400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.077400 (E_RNA)
where:
Base-Base interactions energy: -103.555
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.461
local terms energy: -77.060823
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -172.605952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.605952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.605952 (E_RNA)
where:
Base-Base interactions energy: -114.768
where: short stacking energy: -48.062
Base-Backbone interact. energy: 0.647
local terms energy: -58.485476
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -180.369440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.369440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.369440 (E_RNA)
where:
Base-Base interactions energy: -106.691
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.095
local terms energy: -73.583025
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -20.034
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: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -99.724345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.724345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.724345 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -40.197
Base-Backbone interact. energy: -0.011
local terms energy: -59.516110
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -101.477630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.477630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.477630 (E_RNA)
where:
Base-Base interactions energy: -45.294
where: short stacking energy: -38.406
Base-Backbone interact. energy: 0.419
local terms energy: -56.602936
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -89.207716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.207716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.207716 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -34.505
Base-Backbone interact. energy: -0.097
local terms energy: -54.605215
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -6.617
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: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -78.150525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.150525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.150525 (E_RNA)
where:
Base-Base interactions energy: -36.481
where: short stacking energy: -24.216
Base-Backbone interact. energy: 0.592
local terms energy: -42.261862
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -211.739143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.739143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.739143 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.165
local terms energy: -80.904361
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -21.716
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: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -224.568167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.568167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.568167 (E_RNA)
where:
Base-Base interactions energy: -136.108
where: short stacking energy: -79.550
Base-Backbone interact. energy: -0.001
local terms energy: -88.458852
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -187.294567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.294567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.294567 (E_RNA)
where:
Base-Base interactions energy: -109.421
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.050
local terms energy: -77.823801
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -178.371755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.371755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.371755 (E_RNA)
where:
Base-Base interactions energy: -107.380
where: short stacking energy: -51.259
Base-Backbone interact. energy: -0.283
local terms energy: -70.709474
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -165.430820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.430820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.430820 (E_RNA)
where:
Base-Base interactions energy: -93.411
where: short stacking energy: -48.888
Base-Backbone interact. energy: -0.032
local terms energy: -71.987821
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -151.051404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.051404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.051404 (E_RNA)
where:
Base-Base interactions energy: -78.778
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.483
local terms energy: -71.790959
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -105.619268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.619268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.619268 (E_RNA)
where:
Base-Base interactions energy: -43.084
where: short stacking energy: -26.484
Base-Backbone interact. energy: 0.438
local terms energy: -62.972923
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.845
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: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -94.580673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.580673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.580673 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.021
local terms energy: -59.982634
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -77.943235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.943235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.943235 (E_RNA)
where:
Base-Base interactions energy: -20.105
where: short stacking energy: -20.105
Base-Backbone interact. energy: -0.183
local terms energy: -57.655232
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -76.519744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.519744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.519744 (E_RNA)
where:
Base-Base interactions energy: -34.086
where: short stacking energy: -33.199
Base-Backbone interact. energy: -0.283
local terms energy: -42.150731
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14471925
moves confirmed later: 16097220
all moves confirmed: 30569145
percent of confirmed moves: 3.821143
current total energy: -163.960120
recalc. total energy: -163.960120
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 14924040
moves confirmed later: 16723703
all moves confirmed: 31647743
percent of confirmed moves: 3.955968
current total energy: -183.011168
recalc. total energy: -183.011168
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 23927013
moves confirmed later: 29401193
all moves confirmed: 53328206
percent of confirmed moves: 6.666026
current total energy: -108.928111
recalc. total energy: -108.928111
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 23753277
moves confirmed later: 29227726
all moves confirmed: 52981003
percent of confirmed moves: 6.622625
current total energy: -154.995419
recalc. total energy: -154.995419
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 20814574
moves confirmed later: 25258063
all moves confirmed: 46072637
percent of confirmed moves: 5.759080
current total energy: -139.872932
recalc. total energy: -139.872932
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 21152970
moves confirmed later: 25640150
all moves confirmed: 46793120
percent of confirmed moves: 5.849140
current total energy: -115.038049
recalc. total energy: -115.038049
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 20384724
moves confirmed later: 24649127
all moves confirmed: 45033851
percent of confirmed moves: 5.629231
current total energy: -66.064809
recalc. total energy: -66.064809
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 19294453
moves confirmed later: 23176710
all moves confirmed: 42471163
percent of confirmed moves: 5.308895
current total energy: -35.773790
recalc. total energy: -35.773790
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 22987752
moves confirmed later: 28178773
all moves confirmed: 51166525
percent of confirmed moves: 6.395816
current total energy: -40.279612
recalc. total energy: -40.279612
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 24641708
moves confirmed later: 30444639
all moves confirmed: 55086347
percent of confirmed moves: 6.885793
current total energy: -34.036841
recalc. total energy: -34.036841
out arg RESULTS//1/VL30-22mer-dcfea150_01
Time of doing 8000000 iterations: 1738.242 seconds