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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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-5dcc6a31/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/vl30-22mer-5dcc6a31/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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -153.544749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.544749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.544749 (E_RNA)
where:
Base-Base interactions energy: -83.875
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.125
local terms energy: -69.545042
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -4.301
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: 3
Temperature: 1.100000
Total energy: -143.433020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.433020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.433020 (E_RNA)
where:
Base-Base interactions energy: -93.739
where: short stacking energy: -46.141
Base-Backbone interact. energy: -0.349
local terms energy: -49.344885
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -158.014379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.014379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.014379 (E_RNA)
where:
Base-Base interactions energy: -84.256
where: short stacking energy: -52.063
Base-Backbone interact. energy: -0.866
local terms energy: -72.892987
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.082
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: 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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -159.976955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.976955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.976955 (E_RNA)
where:
Base-Base interactions energy: -98.321
where: short stacking energy: -59.665
Base-Backbone interact. energy: 0.555
local terms energy: -62.211510
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -166.512321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.512321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.512321 (E_RNA)
where:
Base-Base interactions energy: -93.845
where: short stacking energy: -66.151
Base-Backbone interact. energy: -0.063
local terms energy: -72.604106
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -17.818
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: 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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -169.493084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.493084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.493084 (E_RNA)
where:
Base-Base interactions energy: -98.892
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.013
local terms energy: -70.587672
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -93.121721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.121721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.121721 (E_RNA)
where:
Base-Base interactions energy: -41.604
where: short stacking energy: -41.604
Base-Backbone interact. energy: -0.144
local terms energy: -51.373900
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -5.169
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -88.638520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.638520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.638520 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.192
local terms energy: -47.642207
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.293
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: 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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -161.218471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.218471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.218471 (E_RNA)
where:
Base-Base interactions energy: -91.778
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.013
local terms energy: -69.427660
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -10.546
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: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -161.980318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.980318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.980318 (E_RNA)
where:
Base-Base interactions energy: -80.791
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.189
local terms energy: -81.001238
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -189.424805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.424805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.424805 (E_RNA)
where:
Base-Base interactions energy: -119.066
where: short stacking energy: -70.462
Base-Backbone interact. energy: -0.005
local terms energy: -70.353747
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -20.320
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: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -149.046032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.046032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.046032 (E_RNA)
where:
Base-Base interactions energy: -86.159
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.172
local terms energy: -62.715587
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -86.581087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.581087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.581087 (E_RNA)
where:
Base-Base interactions energy: -28.495
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.262
local terms energy: -57.824081
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -84.879722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.879722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.879722 (E_RNA)
where:
Base-Base interactions energy: -41.913
where: short stacking energy: -33.999
Base-Backbone interact. energy: -0.271
local terms energy: -42.695215
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -97.939374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939374 (E_RNA)
where:
Base-Base interactions energy: -44.708
where: short stacking energy: -26.164
Base-Backbone interact. energy: -0.536
local terms energy: -52.695481
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -169.227600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.227600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.227600 (E_RNA)
where:
Base-Base interactions energy: -97.577
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.085
local terms energy: -71.565856
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -186.751684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.751684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.751684 (E_RNA)
where:
Base-Base interactions energy: -101.374
where: short stacking energy: -61.060
Base-Backbone interact. energy: 1.354
local terms energy: -86.731657
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -15.172
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: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -140.211577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.211577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.211577 (E_RNA)
where:
Base-Base interactions energy: -74.060
where: short stacking energy: -48.563
Base-Backbone interact. energy: -0.908
local terms energy: -65.243453
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -7.685
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: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -174.756237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.756237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.756237 (E_RNA)
where:
Base-Base interactions energy: -107.481
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.307
local terms energy: -66.968057
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -138.972208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.972208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.972208 (E_RNA)
where:
Base-Base interactions energy: -80.850
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.510
local terms energy: -57.612052
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -124.642911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.642911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.642911 (E_RNA)
where:
Base-Base interactions energy: -64.880
where: short stacking energy: -41.835
Base-Backbone interact. energy: -0.101
local terms energy: -59.661525
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -108.631086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.631086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.631086 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.143
local terms energy: -60.526051
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -85.581981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.581981 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -28.620
Base-Backbone interact. energy: -0.219
local terms energy: -51.773910
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -84.480616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.480616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.480616 (E_RNA)
where:
Base-Base interactions energy: -34.730
where: short stacking energy: -29.323
Base-Backbone interact. energy: -0.126
local terms energy: -49.625346
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -168.092078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.092078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.092078 (E_RNA)
where:
Base-Base interactions energy: -99.347
where: short stacking energy: -60.543
Base-Backbone interact. energy: 0.062
local terms energy: -68.806698
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -11.219
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -189.782663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.782663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.782663 (E_RNA)
where:
Base-Base interactions energy: -109.010
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.010
local terms energy: -80.762366
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -199.069613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.069613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.069613 (E_RNA)
where:
Base-Base interactions energy: -130.445
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.094
local terms energy: -68.530148
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -14.585
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: 8
Temperature: 1.050000
Total energy: -157.312047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.312047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.312047 (E_RNA)
where:
Base-Base interactions energy: -82.488
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.012
local terms energy: -74.812329
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -12.268
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: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -158.654319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.654319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.654319 (E_RNA)
where:
Base-Base interactions energy: -93.624
where: short stacking energy: -52.181
Base-Backbone interact. energy: -0.030
local terms energy: -65.000818
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -100.807923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.807923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.807923 (E_RNA)
where:
Base-Base interactions energy: -37.990
where: short stacking energy: -37.990
Base-Backbone interact. energy: -0.015
local terms energy: -62.803063
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -127.139331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.139331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.139331 (E_RNA)
where:
Base-Base interactions energy: -61.771
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.064
local terms energy: -65.304243
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -85.595494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.595494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.595494 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -31.898
Base-Backbone interact. energy: 1.117
local terms energy: -51.737678
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -2.521
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -84.291498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.291498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.291498 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.154
local terms energy: -52.557398
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -184.363718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.363718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.363718 (E_RNA)
where:
Base-Base interactions energy: -106.639
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.107
local terms energy: -77.618121
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -209.186314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.186314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.186314 (E_RNA)
where:
Base-Base interactions energy: -131.103
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.429
local terms energy: -77.653974
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -20.056
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: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -186.249017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.249017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.249017 (E_RNA)
where:
Base-Base interactions energy: -104.087
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.033
local terms energy: -82.129348
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -178.494561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.494561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.494561 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.357
local terms energy: -75.991913
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -116.658392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.658392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.658392 (E_RNA)
where:
Base-Base interactions energy: -57.946
where: short stacking energy: -46.394
Base-Backbone interact. energy: -0.216
local terms energy: -58.496207
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.687
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: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -98.821726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.821726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.821726 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.328
local terms energy: -62.496244
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 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: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -104.511441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.511441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.511441 (E_RNA)
where:
Base-Base interactions energy: -47.523
where: short stacking energy: -41.954
Base-Backbone interact. energy: -0.063
local terms energy: -56.925366
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -12.861
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: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -82.780481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.780481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.780481 (E_RNA)
where:
Base-Base interactions energy: -36.595
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.379
local terms energy: -45.806957
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -82.274160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.274160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.274160 (E_RNA)
where:
Base-Base interactions energy: -29.726
where: short stacking energy: -29.063
Base-Backbone interact. energy: -0.238
local terms energy: -52.309467
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -11.266
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: 10
Temperature: 0.900000
Total energy: -211.600625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.600625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.600625 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.164
local terms energy: -77.120043
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -199.292700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.292700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.292700 (E_RNA)
where:
Base-Base interactions energy: -121.683
where: short stacking energy: -65.418
Base-Backbone interact. energy: -0.037
local terms energy: -77.572501
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -191.018748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.018748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.018748 (E_RNA)
where:
Base-Base interactions energy: -107.803
where: short stacking energy: -71.587
Base-Backbone interact. energy: -0.093
local terms energy: -83.123400
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -169.995632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.995632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.995632 (E_RNA)
where:
Base-Base interactions energy: -99.751
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.106
local terms energy: -70.139465
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -105.523223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.523223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.523223 (E_RNA)
where:
Base-Base interactions energy: -48.229
where: short stacking energy: -46.129
Base-Backbone interact. energy: -0.010
local terms energy: -57.284262
where:
bonds (distance) C4'-P energy: -6.053
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -104.914950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.914950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.914950 (E_RNA)
where:
Base-Base interactions energy: -40.400
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.049
local terms energy: -64.465325
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -109.248248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.248248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.248248 (E_RNA)
where:
Base-Base interactions energy: -44.674
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.089
local terms energy: -64.485651
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -6.386
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: 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: -82.451990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.451990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.451990 (E_RNA)
where:
Base-Base interactions energy: -34.177
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.072
local terms energy: -48.203120
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -81.119685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.119685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.119685 (E_RNA)
where:
Base-Base interactions energy: -25.645
where: short stacking energy: -25.645
Base-Backbone interact. energy: -0.183
local terms energy: -55.292398
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -5.548
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -6.971
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: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -225.029116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.029116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.029116 (E_RNA)
where:
Base-Base interactions energy: -144.691
where: short stacking energy: -84.934
Base-Backbone interact. energy: -0.003
local terms energy: -80.335153
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -23.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -212.984083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.984083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.984083 (E_RNA)
where:
Base-Base interactions energy: -131.784
where: short stacking energy: -72.780
Base-Backbone interact. energy: -0.001
local terms energy: -81.198710
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -11.233
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: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -176.324462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.324462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.324462 (E_RNA)
where:
Base-Base interactions energy: -103.846
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.004
local terms energy: -72.474087
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -122.380906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.380906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.380906 (E_RNA)
where:
Base-Base interactions energy: -55.970
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.053
local terms energy: -66.357278
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.386
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -154.515071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.515071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.515071 (E_RNA)
where:
Base-Base interactions energy: -89.067
where: short stacking energy: -59.097
Base-Backbone interact. energy: -0.099
local terms energy: -65.349328
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.662
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: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -106.045958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.045958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.045958 (E_RNA)
where:
Base-Base interactions energy: -44.348
where: short stacking energy: -44.348
Base-Backbone interact. energy: -0.153
local terms energy: -61.545541
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -8.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -130.984735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.984735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.984735 (E_RNA)
where:
Base-Base interactions energy: -66.312
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.068
local terms energy: -64.604424
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.292349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.292349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.292349 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -37.740
Base-Backbone interact. energy: -0.396
local terms energy: -46.589548
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -1.874
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -85.026684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.026684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.026684 (E_RNA)
where:
Base-Base interactions energy: -28.817
where: short stacking energy: -22.909
Base-Backbone interact. energy: -0.114
local terms energy: -56.095462
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -84.314373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.314373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.314373 (E_RNA)
where:
Base-Base interactions energy: -26.702
where: short stacking energy: -26.370
Base-Backbone interact. energy: 2.238
local terms energy: -59.850973
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -223.507958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.507958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.507958 (E_RNA)
where:
Base-Base interactions energy: -137.378
where: short stacking energy: -84.115
Base-Backbone interact. energy: -0.006
local terms energy: -86.124544
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -207.980582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.980582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.980582 (E_RNA)
where:
Base-Base interactions energy: -128.373
where: short stacking energy: -76.870
Base-Backbone interact. energy: -0.197
local terms energy: -79.410083
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -184.936184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.936184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.936184 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.019
local terms energy: -82.633668
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -131.215975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.215975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.215975 (E_RNA)
where:
Base-Base interactions energy: -60.502
where: short stacking energy: -60.502
Base-Backbone interact. energy: -0.100
local terms energy: -70.613351
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -166.906297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.906297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.906297 (E_RNA)
where:
Base-Base interactions energy: -97.230
where: short stacking energy: -63.593
Base-Backbone interact. energy: -0.167
local terms energy: -69.509375
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -92.544993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.544993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.544993 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.148
local terms energy: -58.426602
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -155.149114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.149114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.149114 (E_RNA)
where:
Base-Base interactions energy: -91.561
where: short stacking energy: -54.600
Base-Backbone interact. energy: -0.027
local terms energy: -63.561165
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -12.662
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: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -94.889013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.889013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.889013 (E_RNA)
where:
Base-Base interactions energy: -41.106
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.183
local terms energy: -53.599471
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -92.661506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.661506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.661506 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -32.967
Base-Backbone interact. energy: 0.270
local terms energy: -59.720462
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -9.772
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: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -92.186945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.186945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.186945 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.124
local terms energy: -58.357780
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -217.473769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.473769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.473769 (E_RNA)
where:
Base-Base interactions energy: -135.120
where: short stacking energy: -76.926
Base-Backbone interact. energy: -0.008
local terms energy: -82.346445
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -193.427116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.427116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.427116 (E_RNA)
where:
Base-Base interactions energy: -122.356
where: short stacking energy: -68.418
Base-Backbone interact. energy: -0.003
local terms energy: -71.068426
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.151
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: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -181.788148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.788148 (E_RNA)
where:
Base-Base interactions energy: -103.204
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.023
local terms energy: -78.560799
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -157.462426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.462426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.462426 (E_RNA)
where:
Base-Base interactions energy: -90.135
where: short stacking energy: -54.338
Base-Backbone interact. energy: -0.172
local terms energy: -67.156118
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -111.637157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.637157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.637157 (E_RNA)
where:
Base-Base interactions energy: -51.793
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.003
local terms energy: -59.841207
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -10.275
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: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -171.920778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.920778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.920778 (E_RNA)
where:
Base-Base interactions energy: -93.684
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.104
local terms energy: -78.132492
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -95.772011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.772011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.772011 (E_RNA)
where:
Base-Base interactions energy: -36.606
where: short stacking energy: -36.458
Base-Backbone interact. energy: 0.346
local terms energy: -59.511845
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -83.159493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159493 (E_RNA)
where:
Base-Base interactions energy: -27.848
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.138
local terms energy: -55.173526
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -86.828480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.828480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.828480 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -24.315
Base-Backbone interact. energy: 0.894
local terms energy: -55.338534
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -8.223
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -73.258244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.258244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.258244 (E_RNA)
where:
Base-Base interactions energy: -29.767
where: short stacking energy: -29.767
Base-Backbone interact. energy: -0.225
local terms energy: -43.266718
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -3.371
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: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -206.966803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.966803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.966803 (E_RNA)
where:
Base-Base interactions energy: -123.984
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.003
local terms energy: -82.980435
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -210.659950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.659950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.659950 (E_RNA)
where:
Base-Base interactions energy: -132.707
where: short stacking energy: -79.765
Base-Backbone interact. energy: -0.011
local terms energy: -77.942187
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -177.091706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.091706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.091706 (E_RNA)
where:
Base-Base interactions energy: -104.498
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.095
local terms energy: -72.498720
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -18.178
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -176.262886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.262886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.262886 (E_RNA)
where:
Base-Base interactions energy: -100.748
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.006
local terms energy: -75.509463
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -17.646
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: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -169.596492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.596492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.596492 (E_RNA)
where:
Base-Base interactions energy: -103.726
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.072
local terms energy: -65.798531
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -13.887
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: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -104.017202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.017202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.017202 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.086
local terms energy: -67.567532
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -109.836562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.836562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.836562 (E_RNA)
where:
Base-Base interactions energy: -43.627
where: short stacking energy: -43.627
Base-Backbone interact. energy: -0.106
local terms energy: -66.103599
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -93.438473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.438473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.438473 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -30.158
Base-Backbone interact. energy: 2.885
local terms energy: -50.379094
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -89.826704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.826704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.826704 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -36.855
Base-Backbone interact. energy: -0.397
local terms energy: -52.575030
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -7.236
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -78.812010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812010 (E_RNA)
where:
Base-Base interactions energy: -28.649
where: short stacking energy: -28.881
Base-Backbone interact. energy: -0.063
local terms energy: -50.099353
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -207.774714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.774714 (E_RNA)
where:
Base-Base interactions energy: -132.048
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.000
local terms energy: -75.726174
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -19.589
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: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -174.348959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.348959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.348959 (E_RNA)
where:
Base-Base interactions energy: -104.733
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.330
local terms energy: -69.286252
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -195.203110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.203110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.203110 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.006
local terms energy: -74.076609
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -182.826809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.826809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.826809 (E_RNA)
where:
Base-Base interactions energy: -108.950
where: short stacking energy: -64.154
Base-Backbone interact. energy: -0.057
local terms energy: -73.819659
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -156.670487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.670487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.670487 (E_RNA)
where:
Base-Base interactions energy: -93.542
where: short stacking energy: -53.858
Base-Backbone interact. energy: -0.195
local terms energy: -62.933509
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -11.561
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: 15
Temperature: 1.150000
Total energy: -103.915248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.915248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.915248 (E_RNA)
where:
Base-Base interactions energy: -51.854
where: short stacking energy: -37.291
Base-Backbone interact. energy: 0.274
local terms energy: -52.334921
where:
bonds (distance) C4'-P energy: -7.833
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -5.777
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: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -104.282375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.282375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.282375 (E_RNA)
where:
Base-Base interactions energy: -45.219
where: short stacking energy: -45.219
Base-Backbone interact. energy: -0.001
local terms energy: -59.062342
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.697
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: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -105.717079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.717079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.717079 (E_RNA)
where:
Base-Base interactions energy: -40.505
where: short stacking energy: -40.505
Base-Backbone interact. energy: -0.021
local terms energy: -65.190446
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -84.215483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.215483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.215483 (E_RNA)
where:
Base-Base interactions energy: -25.228
where: short stacking energy: -22.848
Base-Backbone interact. energy: -1.006
local terms energy: -57.981592
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -86.912532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.912532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.912532 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.101
local terms energy: -57.417816
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -6.819
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -197.547276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.547276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.547276 (E_RNA)
where:
Base-Base interactions energy: -127.969
where: short stacking energy: -74.414
Base-Backbone interact. energy: -0.118
local terms energy: -69.459398
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -180.839877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.839877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.839877 (E_RNA)
where:
Base-Base interactions energy: -104.488
where: short stacking energy: -53.195
Base-Backbone interact. energy: -0.101
local terms energy: -76.251128
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -16.432
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: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -178.053842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.053842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.053842 (E_RNA)
where:
Base-Base interactions energy: -109.626
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.646
local terms energy: -67.782706
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.504
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: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -189.948915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.948915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.948915 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.013
local terms energy: -75.326461
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -116.011705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.011705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.011705 (E_RNA)
where:
Base-Base interactions energy: -60.894
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.294
local terms energy: -54.824057
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -156.655865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.655865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.655865 (E_RNA)
where:
Base-Base interactions energy: -95.040
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.079
local terms energy: -61.536980
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -116.895291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.895291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.895291 (E_RNA)
where:
Base-Base interactions energy: -63.526
where: short stacking energy: -51.981
Base-Backbone interact. energy: -0.132
local terms energy: -53.236918
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -1.622
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -95.142958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142958 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -35.668
Base-Backbone interact. energy: -0.111
local terms energy: -59.364118
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -90.464492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.464492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.464492 (E_RNA)
where:
Base-Base interactions energy: -40.045
where: short stacking energy: -40.045
Base-Backbone interact. energy: -0.053
local terms energy: -50.366718
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -3.958
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: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.183369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183369 (E_RNA)
where:
Base-Base interactions energy: -29.432
where: short stacking energy: -29.720
Base-Backbone interact. energy: -0.088
local terms energy: -54.663576
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: 1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -199.507086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.507086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.507086 (E_RNA)
where:
Base-Base interactions energy: -121.601
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.033
local terms energy: -77.873303
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -175.654874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.654874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.654874 (E_RNA)
where:
Base-Base interactions energy: -103.362
where: short stacking energy: -57.149
Base-Backbone interact. energy: 0.203
local terms energy: -72.495781
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -17.803
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: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -170.237501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.237501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.237501 (E_RNA)
where:
Base-Base interactions energy: -103.124
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.011
local terms energy: -67.103364
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -185.424222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.424222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.424222 (E_RNA)
where:
Base-Base interactions energy: -115.703
where: short stacking energy: -70.771
Base-Backbone interact. energy: -0.002
local terms energy: -69.719075
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -139.329506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.329506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.329506 (E_RNA)
where:
Base-Base interactions energy: -82.566
where: short stacking energy: -41.594
Base-Backbone interact. energy: 2.033
local terms energy: -58.796966
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -12.856
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: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -152.271915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.271915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.271915 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -45.470
Base-Backbone interact. energy: 0.427
local terms energy: -68.648556
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -87.474872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.474872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.474872 (E_RNA)
where:
Base-Base interactions energy: -32.643
where: short stacking energy: -26.850
Base-Backbone interact. energy: -0.856
local terms energy: -53.976277
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -81.035078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035078 (E_RNA)
where:
Base-Base interactions energy: -31.475
where: short stacking energy: -31.475
Base-Backbone interact. energy: 0.218
local terms energy: -49.778492
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -86.244272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244272 (E_RNA)
where:
Base-Base interactions energy: -32.523
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.010
local terms energy: -53.711291
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -88.068880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.068880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.068880 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -31.313
Base-Backbone interact. energy: -0.226
local terms energy: -56.530448
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -195.239127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.239127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.239127 (E_RNA)
where:
Base-Base interactions energy: -117.934
where: short stacking energy: -62.304
Base-Backbone interact. energy: -0.017
local terms energy: -77.288639
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -194.173619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.173619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.173619 (E_RNA)
where:
Base-Base interactions energy: -112.951
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.008
local terms energy: -81.214872
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -10.390
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: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -189.760579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.760579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.760579 (E_RNA)
where:
Base-Base interactions energy: -116.945
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.003
local terms energy: -72.811901
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -180.937973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.937973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.937973 (E_RNA)
where:
Base-Base interactions energy: -107.320
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.224
local terms energy: -73.393081
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -159.548236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.548236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.548236 (E_RNA)
where:
Base-Base interactions energy: -93.761
where: short stacking energy: -46.184
Base-Backbone interact. energy: -0.237
local terms energy: -65.550668
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -151.822592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.822592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.822592 (E_RNA)
where:
Base-Base interactions energy: -91.774
where: short stacking energy: -36.209
Base-Backbone interact. energy: -0.081
local terms energy: -59.967430
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -90.409420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409420 (E_RNA)
where:
Base-Base interactions energy: -35.530
where: short stacking energy: -23.346
Base-Backbone interact. energy: 2.006
local terms energy: -56.884845
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -95.390913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.390913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.390913 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.145
local terms energy: -54.481465
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -6.734
flat angles P-C4'-P energy: -12.171
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: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -88.321943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.321943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.321943 (E_RNA)
where:
Base-Base interactions energy: -36.374
where: short stacking energy: -25.016
Base-Backbone interact. energy: -0.303
local terms energy: -51.644897
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -92.072915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.072915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.072915 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -37.719
Base-Backbone interact. energy: -0.049
local terms energy: -54.304981
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -9.138
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: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -191.873613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.873613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.873613 (E_RNA)
where:
Base-Base interactions energy: -114.801
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.079
local terms energy: -76.994220
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -194.847180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.847180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.847180 (E_RNA)
where:
Base-Base interactions energy: -119.186
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.048
local terms energy: -75.612508
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -196.819759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.819759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.819759 (E_RNA)
where:
Base-Base interactions energy: -120.703
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.005
local terms energy: -76.111596
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -171.256402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.256402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.256402 (E_RNA)
where:
Base-Base interactions energy: -93.744
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.002
local terms energy: -77.510425
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -15.979
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: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -160.063681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.063681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.063681 (E_RNA)
where:
Base-Base interactions energy: -99.293
where: short stacking energy: -54.703
Base-Backbone interact. energy: -0.005
local terms energy: -60.765231
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -163.628455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.628455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.628455 (E_RNA)
where:
Base-Base interactions energy: -96.724
where: short stacking energy: -54.573
Base-Backbone interact. energy: -0.003
local terms energy: -66.902107
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -94.670358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.670358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.670358 (E_RNA)
where:
Base-Base interactions energy: -42.723
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.041
local terms energy: -51.906425
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -5.718
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -84.234527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234527 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -33.122
Base-Backbone interact. energy: -2.118
local terms energy: -48.994578
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -4.849
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -93.050431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.050431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.050431 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.089
local terms energy: -54.369917
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -5.939
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -77.448936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.448936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.448936 (E_RNA)
where:
Base-Base interactions energy: -32.731
where: short stacking energy: -28.641
Base-Backbone interact. energy: -0.055
local terms energy: -44.662936
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: 2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -207.515734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.515734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.515734 (E_RNA)
where:
Base-Base interactions energy: -123.603
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.250
local terms energy: -83.662964
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -21.608
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: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -199.983595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.983595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.983595 (E_RNA)
where:
Base-Base interactions energy: -124.274
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.127
local terms energy: -75.582627
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -7.385
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: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -199.315059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.315059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.315059 (E_RNA)
where:
Base-Base interactions energy: -120.841
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.001
local terms energy: -78.472940
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -156.879732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.879732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.879732 (E_RNA)
where:
Base-Base interactions energy: -87.609
where: short stacking energy: -49.130
Base-Backbone interact. energy: 0.018
local terms energy: -69.288293
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -172.232797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.232797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.232797 (E_RNA)
where:
Base-Base interactions energy: -106.399
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.111
local terms energy: -65.722670
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -147.050718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.050718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.050718 (E_RNA)
where:
Base-Base interactions energy: -91.931
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.045
local terms energy: -55.074411
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -13.713
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -105.542923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.542923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.542923 (E_RNA)
where:
Base-Base interactions energy: -55.894
where: short stacking energy: -39.998
Base-Backbone interact. energy: 0.159
local terms energy: -49.807563
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -83.005847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.005847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.005847 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.007
local terms energy: -44.959790
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -4.418
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -83.556675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.556675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.556675 (E_RNA)
where:
Base-Base interactions energy: -32.996
where: short stacking energy: -32.996
Base-Backbone interact. energy: -0.135
local terms energy: -50.425610
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -9.685
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: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -89.433876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.433876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.433876 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -26.547
Base-Backbone interact. energy: -0.069
local terms energy: -62.818148
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.597
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: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -196.395895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.395895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.395895 (E_RNA)
where:
Base-Base interactions energy: -120.902
where: short stacking energy: -70.619
Base-Backbone interact. energy: -0.448
local terms energy: -75.046162
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -207.267351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267351 (E_RNA)
where:
Base-Base interactions energy: -124.773
where: short stacking energy: -66.680
Base-Backbone interact. energy: -0.093
local terms energy: -82.400596
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -13.992
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: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -188.364106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.364106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364106 (E_RNA)
where:
Base-Base interactions energy: -124.651
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.004
local terms energy: -63.709173
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -5.751
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: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -177.441935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441935 (E_RNA)
where:
Base-Base interactions energy: -102.543
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.037
local terms energy: -74.862254
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -11.245
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: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -165.191138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.191138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.191138 (E_RNA)
where:
Base-Base interactions energy: -99.529
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.191
local terms energy: -65.470617
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -8.516
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: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -162.624570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.624570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.624570 (E_RNA)
where:
Base-Base interactions energy: -98.986
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.099
local terms energy: -63.539169
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -101.296118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.296118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.296118 (E_RNA)
where:
Base-Base interactions energy: -37.502
where: short stacking energy: -23.154
Base-Backbone interact. energy: 0.850
local terms energy: -64.644863
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -96.445369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.445369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.445369 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -34.495
Base-Backbone interact. energy: -0.013
local terms energy: -61.936839
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -84.475071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.475071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.475071 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -32.067
Base-Backbone interact. energy: -0.069
local terms energy: -43.766288
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.486
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: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -89.760740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.760740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.760740 (E_RNA)
where:
Base-Base interactions energy: -35.277
where: short stacking energy: -34.423
Base-Backbone interact. energy: -0.042
local terms energy: -54.441401
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -207.298950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.298950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.298950 (E_RNA)
where:
Base-Base interactions energy: -126.985
where: short stacking energy: -69.068
Base-Backbone interact. energy: -0.159
local terms energy: -80.155619
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -193.788897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.788897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.788897 (E_RNA)
where:
Base-Base interactions energy: -113.902
where: short stacking energy: -71.498
Base-Backbone interact. energy: 0.729
local terms energy: -80.616049
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -186.001546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.001546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.001546 (E_RNA)
where:
Base-Base interactions energy: -108.239
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.120
local terms energy: -77.642904
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.656
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: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -185.966977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.966977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.966977 (E_RNA)
where:
Base-Base interactions energy: -121.212
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.100
local terms energy: -64.654187
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -14.016
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -171.693085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.693085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.693085 (E_RNA)
where:
Base-Base interactions energy: -101.235
where: short stacking energy: -61.687
Base-Backbone interact. energy: 0.307
local terms energy: -70.764827
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -7.943
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -154.023860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.023860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.023860 (E_RNA)
where:
Base-Base interactions energy: -84.588
where: short stacking energy: -50.702
Base-Backbone interact. energy: -0.018
local terms energy: -69.417991
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -98.013110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.013110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.013110 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -40.600
Base-Backbone interact. energy: -0.120
local terms energy: -52.041550
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -99.013342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.013342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.013342 (E_RNA)
where:
Base-Base interactions energy: -43.769
where: short stacking energy: -22.009
Base-Backbone interact. energy: 0.004
local terms energy: -55.248235
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -123.896014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.896014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.896014 (E_RNA)
where:
Base-Base interactions energy: -74.776
where: short stacking energy: -32.121
Base-Backbone interact. energy: 0.645
local terms energy: -49.764960
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -90.178679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178679 (E_RNA)
where:
Base-Base interactions energy: -45.186
where: short stacking energy: -45.186
Base-Backbone interact. energy: -0.190
local terms energy: -44.802897
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: 1.986
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -217.490157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.490157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.490157 (E_RNA)
where:
Base-Base interactions energy: -129.029
where: short stacking energy: -71.303
Base-Backbone interact. energy: -0.004
local terms energy: -88.457202
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -14.088
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: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -187.509465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.509465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.509465 (E_RNA)
where:
Base-Base interactions energy: -105.472
where: short stacking energy: -66.111
Base-Backbone interact. energy: -1.892
local terms energy: -80.145116
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -182.842586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.842586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.842586 (E_RNA)
where:
Base-Base interactions energy: -107.654
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.817
local terms energy: -74.371376
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -185.116442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116442 (E_RNA)
where:
Base-Base interactions energy: -117.099
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.256
local terms energy: -67.762051
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -156.564182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.564182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.564182 (E_RNA)
where:
Base-Base interactions energy: -89.137
where: short stacking energy: -50.996
Base-Backbone interact. energy: -0.139
local terms energy: -67.288273
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -162.150641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.150641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.150641 (E_RNA)
where:
Base-Base interactions energy: -97.182
where: short stacking energy: -57.510
Base-Backbone interact. energy: -0.079
local terms energy: -64.890083
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.843
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: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -89.353808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353808 (E_RNA)
where:
Base-Base interactions energy: -38.362
where: short stacking energy: -30.640
Base-Backbone interact. energy: 0.216
local terms energy: -51.208265
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -122.476529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.476529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.476529 (E_RNA)
where:
Base-Base interactions energy: -66.289
where: short stacking energy: -39.802
Base-Backbone interact. energy: -2.087
local terms energy: -54.100220
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -93.466784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.466784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.466784 (E_RNA)
where:
Base-Base interactions energy: -44.109
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.108
local terms energy: -49.250013
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -81.034461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.034461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.034461 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -26.845
Base-Backbone interact. energy: -0.059
local terms energy: -49.942399
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -215.123766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.123766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.123766 (E_RNA)
where:
Base-Base interactions energy: -139.524
where: short stacking energy: -82.132
Base-Backbone interact. energy: -0.096
local terms energy: -75.503366
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -180.076040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.076040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.076040 (E_RNA)
where:
Base-Base interactions energy: -109.523
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.557
local terms energy: -69.996090
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -11.317
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -188.653922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.653922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.653922 (E_RNA)
where:
Base-Base interactions energy: -116.375
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.096
local terms energy: -72.182503
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -11.246
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: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -165.182627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.182627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.182627 (E_RNA)
where:
Base-Base interactions energy: -93.485
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.087
local terms energy: -71.610180
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -163.463266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.463266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.463266 (E_RNA)
where:
Base-Base interactions energy: -100.230
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.037
local terms energy: -63.195869
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -9.132
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -165.725513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.725513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.725513 (E_RNA)
where:
Base-Base interactions energy: -98.061
where: short stacking energy: -55.532
Base-Backbone interact. energy: 0.190
local terms energy: -67.855296
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -127.493810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.493810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.493810 (E_RNA)
where:
Base-Base interactions energy: -68.441
where: short stacking energy: -40.856
Base-Backbone interact. energy: -1.127
local terms energy: -57.925449
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -96.476282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.476282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.476282 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -43.411
Base-Backbone interact. energy: 2.370
local terms energy: -55.436008
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -9.731
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: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -92.143237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.143237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.143237 (E_RNA)
where:
Base-Base interactions energy: -45.471
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.280
local terms energy: -46.392487
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -72.712626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.712626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.712626 (E_RNA)
where:
Base-Base interactions energy: -24.055
where: short stacking energy: -24.055
Base-Backbone interact. energy: -0.049
local terms energy: -48.608162
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -220.170022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.170022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.170022 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -81.273
Base-Backbone interact. energy: -0.706
local terms energy: -84.997179
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -192.542669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.542669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.542669 (E_RNA)
where:
Base-Base interactions energy: -121.077
where: short stacking energy: -68.895
Base-Backbone interact. energy: 0.557
local terms energy: -72.022946
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -191.653276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.653276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.653276 (E_RNA)
where:
Base-Base interactions energy: -117.027
where: short stacking energy: -67.680
Base-Backbone interact. energy: -0.047
local terms energy: -74.579733
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.732
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: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -181.657181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.657181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.657181 (E_RNA)
where:
Base-Base interactions energy: -106.060
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.158
local terms energy: -75.439023
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -160.342620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.342620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.342620 (E_RNA)
where:
Base-Base interactions energy: -95.163
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.090
local terms energy: -65.089633
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -11.388
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -162.800026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.800026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.800026 (E_RNA)
where:
Base-Base interactions energy: -95.449
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.114
local terms energy: -67.237036
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -118.324355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.324355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.324355 (E_RNA)
where:
Base-Base interactions energy: -60.542
where: short stacking energy: -35.497
Base-Backbone interact. energy: -0.113
local terms energy: -57.669785
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -91.755130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.755130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.755130 (E_RNA)
where:
Base-Base interactions energy: -36.819
where: short stacking energy: -36.819
Base-Backbone interact. energy: -0.008
local terms energy: -54.928060
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -7.979
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: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -87.581073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.581073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.581073 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -25.000
Base-Backbone interact. energy: -0.442
local terms energy: -53.926984
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -0.838
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: 25
Temperature: 1.350000
Total energy: -97.021801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021801 (E_RNA)
where:
Base-Base interactions energy: -40.890
where: short stacking energy: -25.538
Base-Backbone interact. energy: -0.301
local terms energy: -55.831221
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -216.612922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.612922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.612922 (E_RNA)
where:
Base-Base interactions energy: -135.428
where: short stacking energy: -79.877
Base-Backbone interact. energy: -0.461
local terms energy: -80.723179
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -196.073585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.073585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.073585 (E_RNA)
where:
Base-Base interactions energy: -121.969
where: short stacking energy: -58.527
Base-Backbone interact. energy: -1.253
local terms energy: -72.851760
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -188.515758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.515758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.515758 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -70.924
Base-Backbone interact. energy: -2.442
local terms energy: -72.138788
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -180.667966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.667966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.667966 (E_RNA)
where:
Base-Base interactions energy: -110.285
where: short stacking energy: -65.581
Base-Backbone interact. energy: -0.186
local terms energy: -70.196283
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -153.227804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.227804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.227804 (E_RNA)
where:
Base-Base interactions energy: -92.120
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.041
local terms energy: -61.067031
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -6.258
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: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -144.092841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.092841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.092841 (E_RNA)
where:
Base-Base interactions energy: -77.520
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.115
local terms energy: -66.457323
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -97.824331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.824331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.824331 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -37.992
Base-Backbone interact. energy: -0.237
local terms energy: -57.351770
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -90.637631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.637631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.637631 (E_RNA)
where:
Base-Base interactions energy: -31.112
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.042
local terms energy: -59.483055
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -87.405946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.405946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.405946 (E_RNA)
where:
Base-Base interactions energy: -33.911
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.196
local terms energy: -53.298525
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -83.085032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.085032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.085032 (E_RNA)
where:
Base-Base interactions energy: -33.382
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.045
local terms energy: -49.658685
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -216.450281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.450281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.450281 (E_RNA)
where:
Base-Base interactions energy: -135.404
where: short stacking energy: -75.088
Base-Backbone interact. energy: -0.000
local terms energy: -81.046446
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -196.516412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.516412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.516412 (E_RNA)
where:
Base-Base interactions energy: -115.322
where: short stacking energy: -71.366
Base-Backbone interact. energy: 0.791
local terms energy: -81.984728
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -20.963
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: 27
Temperature: 1.000000
Total energy: -189.000421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.000421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.000421 (E_RNA)
where:
Base-Base interactions energy: -115.316
where: short stacking energy: -60.992
Base-Backbone interact. energy: 1.091
local terms energy: -74.775236
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -160.366262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.366262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.366262 (E_RNA)
where:
Base-Base interactions energy: -93.595
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.078
local terms energy: -66.693106
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.470
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: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -154.207881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.207881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.207881 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -53.590
Base-Backbone interact. energy: -0.072
local terms energy: -63.524945
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -12.104
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: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -155.408034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.408034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.408034 (E_RNA)
where:
Base-Base interactions energy: -93.921
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.102
local terms energy: -61.385036
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -92.656193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.656193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.656193 (E_RNA)
where:
Base-Base interactions energy: -43.941
where: short stacking energy: -39.207
Base-Backbone interact. energy: -0.118
local terms energy: -48.596872
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -88.420850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.420850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.420850 (E_RNA)
where:
Base-Base interactions energy: -40.811
where: short stacking energy: -29.125
Base-Backbone interact. energy: 0.056
local terms energy: -47.665585
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -88.814636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814636 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -26.764
Base-Backbone interact. energy: 0.243
local terms energy: -60.530428
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -79.985571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.985571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.985571 (E_RNA)
where:
Base-Base interactions energy: -23.295
where: short stacking energy: -23.295
Base-Backbone interact. energy: -0.109
local terms energy: -56.580974
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -12.894
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -205.811878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.811878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.811878 (E_RNA)
where:
Base-Base interactions energy: -124.383
where: short stacking energy: -66.185
Base-Backbone interact. energy: -0.010
local terms energy: -81.419115
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.174
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: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -195.359446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.359446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.359446 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.084
local terms energy: -80.155842
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -196.626109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.626109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.626109 (E_RNA)
where:
Base-Base interactions energy: -114.302
where: short stacking energy: -73.565
Base-Backbone interact. energy: -0.102
local terms energy: -82.222335
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -195.215194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.215194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.215194 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.002
local terms energy: -72.614973
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -155.704428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.704428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.704428 (E_RNA)
where:
Base-Base interactions energy: -89.768
where: short stacking energy: -50.818
Base-Backbone interact. energy: -0.689
local terms energy: -65.247713
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -157.018100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.018100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.018100 (E_RNA)
where:
Base-Base interactions energy: -94.874
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.658
local terms energy: -61.487042
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -12.789
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -99.296905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.296905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.296905 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -33.372
Base-Backbone interact. energy: -0.032
local terms energy: -65.893285
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -97.750201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.750201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.750201 (E_RNA)
where:
Base-Base interactions energy: -30.171
where: short stacking energy: -30.171
Base-Backbone interact. energy: -0.117
local terms energy: -67.462587
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -87.979244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.979244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.979244 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -36.414
Base-Backbone interact. energy: -0.061
local terms energy: -51.504256
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -5.182
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: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -87.528605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528605 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -25.796
Base-Backbone interact. energy: -0.064
local terms energy: -50.191069
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -0.895
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: 29
Temperature: 0.900000
Total energy: -219.406274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406274 (E_RNA)
where:
Base-Base interactions energy: -134.382
where: short stacking energy: -77.832
Base-Backbone interact. energy: -2.895
local terms energy: -82.129391
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -21.016
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: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -191.818922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.818922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.818922 (E_RNA)
where:
Base-Base interactions energy: -111.784
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.127
local terms energy: -79.908375
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -185.627971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.627971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.627971 (E_RNA)
where:
Base-Base interactions energy: -104.925
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.009
local terms energy: -80.693934
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -194.531616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.531616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.531616 (E_RNA)
where:
Base-Base interactions energy: -118.488
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.041
local terms energy: -76.002275
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -156.575966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.575966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.575966 (E_RNA)
where:
Base-Base interactions energy: -90.114
where: short stacking energy: -39.527
Base-Backbone interact. energy: -0.313
local terms energy: -66.148958
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -156.128414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.128414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.128414 (E_RNA)
where:
Base-Base interactions energy: -86.594
where: short stacking energy: -46.326
Base-Backbone interact. energy: -0.147
local terms energy: -69.387850
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -105.270219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.270219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.270219 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -36.693
Base-Backbone interact. energy: -0.078
local terms energy: -65.799040
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -9.639
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -91.779174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779174 (E_RNA)
where:
Base-Base interactions energy: -40.279
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.110
local terms energy: -51.390179
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -5.801
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: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -81.354401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.354401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.354401 (E_RNA)
where:
Base-Base interactions energy: -38.865
where: short stacking energy: -29.581
Base-Backbone interact. energy: -0.186
local terms energy: -42.303953
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -7.396
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -79.410608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.410608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.410608 (E_RNA)
where:
Base-Base interactions energy: -25.678
where: short stacking energy: -25.583
Base-Backbone interact. energy: -0.299
local terms energy: -53.434047
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -217.344322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.344322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.344322 (E_RNA)
where:
Base-Base interactions energy: -136.951
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.426
local terms energy: -79.967659
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.646
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: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -193.408681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.408681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.408681 (E_RNA)
where:
Base-Base interactions energy: -115.028
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.001
local terms energy: -78.379930
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.752
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: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -184.759879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.759879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.759879 (E_RNA)
where:
Base-Base interactions energy: -117.689
where: short stacking energy: -64.155
Base-Backbone interact. energy: -0.005
local terms energy: -67.066404
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -188.198991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198991 (E_RNA)
where:
Base-Base interactions energy: -107.022
where: short stacking energy: -64.833
Base-Backbone interact. energy: -0.104
local terms energy: -81.073406
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -158.735410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.735410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.735410 (E_RNA)
where:
Base-Base interactions energy: -96.261
where: short stacking energy: -52.138
Base-Backbone interact. energy: -0.986
local terms energy: -61.488795
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -156.382434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.382434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.382434 (E_RNA)
where:
Base-Base interactions energy: -91.087
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.165
local terms energy: -65.130919
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -94.503844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.503844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.503844 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -23.465
Base-Backbone interact. energy: 0.310
local terms energy: -60.660976
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -95.695880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.695880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.695880 (E_RNA)
where:
Base-Base interactions energy: -36.864
where: short stacking energy: -35.614
Base-Backbone interact. energy: 0.997
local terms energy: -59.829290
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -79.510198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.510198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.510198 (E_RNA)
where:
Base-Base interactions energy: -36.558
where: short stacking energy: -36.558
Base-Backbone interact. energy: -0.107
local terms energy: -42.844579
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -80.646340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.646340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.646340 (E_RNA)
where:
Base-Base interactions energy: -34.131
where: short stacking energy: -34.131
Base-Backbone interact. energy: -0.009
local terms energy: -46.506599
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -221.655968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.655968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.655968 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.026
local terms energy: -83.617599
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -185.669382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.669382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.669382 (E_RNA)
where:
Base-Base interactions energy: -109.504
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.894
local terms energy: -75.270842
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -192.415290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.415290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.415290 (E_RNA)
where:
Base-Base interactions energy: -111.954
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.016
local terms energy: -80.445137
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -180.872365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.872365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.872365 (E_RNA)
where:
Base-Base interactions energy: -112.460
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.137
local terms energy: -68.275358
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -154.454857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.454857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.454857 (E_RNA)
where:
Base-Base interactions energy: -93.188
where: short stacking energy: -51.836
Base-Backbone interact. energy: -0.128
local terms energy: -61.139343
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -163.654631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.654631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.654631 (E_RNA)
where:
Base-Base interactions energy: -100.320
where: short stacking energy: -63.727
Base-Backbone interact. energy: 2.105
local terms energy: -65.440368
where:
bonds (distance) C4'-P energy: -7.767
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -11.819
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -101.519025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.519025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.519025 (E_RNA)
where:
Base-Base interactions energy: -43.460
where: short stacking energy: -34.135
Base-Backbone interact. energy: -0.264
local terms energy: -57.795529
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -99.801163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.801163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.801163 (E_RNA)
where:
Base-Base interactions energy: -41.422
where: short stacking energy: -41.422
Base-Backbone interact. energy: -0.017
local terms energy: -58.362845
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -79.270258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.270258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.270258 (E_RNA)
where:
Base-Base interactions energy: -26.407
where: short stacking energy: -15.182
Base-Backbone interact. energy: -0.374
local terms energy: -52.490047
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: 3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -90.780378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.780378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.780378 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -39.616
Base-Backbone interact. energy: 2.105
local terms energy: -53.269372
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -213.579742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.579742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.579742 (E_RNA)
where:
Base-Base interactions energy: -131.303
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.299
local terms energy: -81.978227
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -177.377193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377193 (E_RNA)
where:
Base-Base interactions energy: -105.454
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.061
local terms energy: -71.862670
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -184.759840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.759840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.759840 (E_RNA)
where:
Base-Base interactions energy: -115.107
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.039
local terms energy: -69.613742
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -15.628
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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -166.872073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.872073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.872073 (E_RNA)
where:
Base-Base interactions energy: -108.619
where: short stacking energy: -51.688
Base-Backbone interact. energy: -0.240
local terms energy: -58.013047
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -168.516655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.516655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.516655 (E_RNA)
where:
Base-Base interactions energy: -101.205
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.106
local terms energy: -67.204904
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -157.288672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.288672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.288672 (E_RNA)
where:
Base-Base interactions energy: -97.117
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.055
local terms energy: -60.116532
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -96.103319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.103319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.103319 (E_RNA)
where:
Base-Base interactions energy: -47.227
where: short stacking energy: -39.871
Base-Backbone interact. energy: 4.786
local terms energy: -53.662119
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -93.371635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.371635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.371635 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -36.662
Base-Backbone interact. energy: -0.253
local terms energy: -56.456864
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -90.988703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.988703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.988703 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.410
local terms energy: -50.873589
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -7.843
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -8.415
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: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -91.529102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.529102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.529102 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.077
local terms energy: -58.648021
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -210.512166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.512166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.512166 (E_RNA)
where:
Base-Base interactions energy: -131.643
where: short stacking energy: -77.721
Base-Backbone interact. energy: -0.006
local terms energy: -78.863622
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -190.653022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.653022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.653022 (E_RNA)
where:
Base-Base interactions energy: -118.637
where: short stacking energy: -68.500
Base-Backbone interact. energy: -0.025
local terms energy: -71.990126
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -17.803
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: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -172.799418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.799418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.799418 (E_RNA)
where:
Base-Base interactions energy: -109.423
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.149
local terms energy: -63.227209
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -172.897178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.897178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.897178 (E_RNA)
where:
Base-Base interactions energy: -96.994
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.045
local terms energy: -75.857542
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -170.463727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.463727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.463727 (E_RNA)
where:
Base-Base interactions energy: -97.250
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.189
local terms energy: -73.024660
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -149.303499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.303499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.303499 (E_RNA)
where:
Base-Base interactions energy: -85.346
where: short stacking energy: -48.678
Base-Backbone interact. energy: -0.014
local terms energy: -63.943244
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -10.438
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -127.943749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.943749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.943749 (E_RNA)
where:
Base-Base interactions energy: -67.107
where: short stacking energy: -43.193
Base-Backbone interact. energy: -0.159
local terms energy: -60.678191
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -96.518059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.518059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.518059 (E_RNA)
where:
Base-Base interactions energy: -39.372
where: short stacking energy: -39.372
Base-Backbone interact. energy: -0.125
local terms energy: -57.020411
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -87.302895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.302895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.302895 (E_RNA)
where:
Base-Base interactions energy: -32.061
where: short stacking energy: -32.061
Base-Backbone interact. energy: -0.038
local terms energy: -55.204249
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -82.274041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.274041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.274041 (E_RNA)
where:
Base-Base interactions energy: -24.244
where: short stacking energy: -23.868
Base-Backbone interact. energy: -0.164
local terms energy: -57.865954
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -209.758737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.758737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.758737 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -72.470
Base-Backbone interact. energy: -0.100
local terms energy: -84.839004
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -206.803326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.803326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.803326 (E_RNA)
where:
Base-Base interactions energy: -137.629
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.119
local terms energy: -69.055243
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.184
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -187.690250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.690250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.690250 (E_RNA)
where:
Base-Base interactions energy: -113.963
where: short stacking energy: -68.108
Base-Backbone interact. energy: 1.362
local terms energy: -75.088907
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.357
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: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -165.610430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.610430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.610430 (E_RNA)
where:
Base-Base interactions energy: -101.285
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.275
local terms energy: -64.049660
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -12.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -149.319533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.319533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.319533 (E_RNA)
where:
Base-Base interactions energy: -88.466
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.052
local terms energy: -60.801262
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -11.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -105.783957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.783957 (E_RNA)
where:
Base-Base interactions energy: -53.968
where: short stacking energy: -36.440
Base-Backbone interact. energy: 0.749
local terms energy: -52.565467
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -0.413
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: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -113.462287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.462287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.462287 (E_RNA)
where:
Base-Base interactions energy: -50.326
where: short stacking energy: -50.326
Base-Backbone interact. energy: -0.157
local terms energy: -62.979179
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -15.527
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -104.201961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.201961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.201961 (E_RNA)
where:
Base-Base interactions energy: -44.069
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.288
local terms energy: -59.844484
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -4.979
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: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -86.059873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.059873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.059873 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.188
local terms energy: -55.229740
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -7.289
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: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -79.521652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.521652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.521652 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.673
local terms energy: -54.166637
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -217.592228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.592228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.592228 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -79.667
Base-Backbone interact. energy: -0.006
local terms energy: -83.433086
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -173.870208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.870208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.870208 (E_RNA)
where:
Base-Base interactions energy: -96.788
where: short stacking energy: -56.150
Base-Backbone interact. energy: -2.674
local terms energy: -74.407928
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -11.259
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -201.259262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.259262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.259262 (E_RNA)
where:
Base-Base interactions energy: -125.904
where: short stacking energy: -67.537
Base-Backbone interact. energy: 0.181
local terms energy: -75.535765
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -5.875
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -173.829222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.829222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.829222 (E_RNA)
where:
Base-Base interactions energy: -105.572
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.016
local terms energy: -68.241001
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -12.270
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: 35
Temperature: 1.100000
Total energy: -157.700397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.700397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.700397 (E_RNA)
where:
Base-Base interactions energy: -86.296
where: short stacking energy: -44.219
Base-Backbone interact. energy: -0.101
local terms energy: -71.303775
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -104.836224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.836224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.836224 (E_RNA)
where:
Base-Base interactions energy: -43.138
where: short stacking energy: -38.940
Base-Backbone interact. energy: -0.063
local terms energy: -61.634602
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -110.065509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.065509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.065509 (E_RNA)
where:
Base-Base interactions energy: -49.661
where: short stacking energy: -34.778
Base-Backbone interact. energy: -0.079
local terms energy: -60.324852
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -3.355
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: 35
Temperature: 1.250000
Total energy: -100.754407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.754407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.754407 (E_RNA)
where:
Base-Base interactions energy: -44.970
where: short stacking energy: -44.970
Base-Backbone interact. energy: -0.222
local terms energy: -55.561617
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -99.049902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.049902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.049902 (E_RNA)
where:
Base-Base interactions energy: -47.756
where: short stacking energy: -36.252
Base-Backbone interact. energy: 0.030
local terms energy: -51.323556
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -87.116148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116148 (E_RNA)
where:
Base-Base interactions energy: -38.483
where: short stacking energy: -33.139
Base-Backbone interact. energy: -0.375
local terms energy: -48.257993
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -212.433852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.433852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.433852 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -72.776
Base-Backbone interact. energy: -0.030
local terms energy: -84.361336
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -185.947198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.947198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.947198 (E_RNA)
where:
Base-Base interactions energy: -107.648
where: short stacking energy: -65.624
Base-Backbone interact. energy: -0.339
local terms energy: -77.960329
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -176.913302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.913302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.913302 (E_RNA)
where:
Base-Base interactions energy: -106.662
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.304
local terms energy: -69.947197
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -192.363219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.363219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.363219 (E_RNA)
where:
Base-Base interactions energy: -116.590
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.124
local terms energy: -75.649799
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -9.792
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: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -159.091863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.091863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.091863 (E_RNA)
where:
Base-Base interactions energy: -99.342
where: short stacking energy: -48.231
Base-Backbone interact. energy: -0.475
local terms energy: -59.274571
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -11.399
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: 36
Temperature: 1.150000
Total energy: -107.171129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.171129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.171129 (E_RNA)
where:
Base-Base interactions energy: -51.633
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.254
local terms energy: -55.284334
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -101.501872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.501872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.501872 (E_RNA)
where:
Base-Base interactions energy: -48.650
where: short stacking energy: -33.594
Base-Backbone interact. energy: -0.055
local terms energy: -52.797411
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -95.769975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.769975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.769975 (E_RNA)
where:
Base-Base interactions energy: -39.927
where: short stacking energy: -18.603
Base-Backbone interact. energy: 0.713
local terms energy: -56.556296
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: 1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -111.881955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.881955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.881955 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -42.503
Base-Backbone interact. energy: -0.475
local terms energy: -62.215034
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -79.842752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842752 (E_RNA)
where:
Base-Base interactions energy: -23.969
where: short stacking energy: -23.118
Base-Backbone interact. energy: -0.141
local terms energy: -55.732981
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.497
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: 37
Temperature: 0.900000
Total energy: -208.519320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.519320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.519320 (E_RNA)
where:
Base-Base interactions energy: -132.283
where: short stacking energy: -70.056
Base-Backbone interact. energy: -0.042
local terms energy: -76.194397
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -193.686249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.686249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.686249 (E_RNA)
where:
Base-Base interactions energy: -116.337
where: short stacking energy: -73.307
Base-Backbone interact. energy: -0.001
local terms energy: -77.347850
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -171.243172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.243172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.243172 (E_RNA)
where:
Base-Base interactions energy: -101.195
where: short stacking energy: -52.236
Base-Backbone interact. energy: -0.171
local terms energy: -69.877610
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -178.815987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.815987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.815987 (E_RNA)
where:
Base-Base interactions energy: -113.355
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.030
local terms energy: -65.430472
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -166.938756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.938756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.938756 (E_RNA)
where:
Base-Base interactions energy: -96.027
where: short stacking energy: -53.790
Base-Backbone interact. energy: 0.268
local terms energy: -71.179648
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -100.663774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.663774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.663774 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -40.127
Base-Backbone interact. energy: -0.223
local terms energy: -57.849043
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -103.648771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.648771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.648771 (E_RNA)
where:
Base-Base interactions energy: -48.035
where: short stacking energy: -43.723
Base-Backbone interact. energy: 0.009
local terms energy: -55.623084
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -99.529206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.529206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.529206 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -39.535
Base-Backbone interact. energy: -0.049
local terms energy: -59.665430
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -83.661803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.661803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.661803 (E_RNA)
where:
Base-Base interactions energy: -29.968
where: short stacking energy: -24.739
Base-Backbone interact. energy: -0.134
local terms energy: -53.559530
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -76.853232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.853232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.853232 (E_RNA)
where:
Base-Base interactions energy: -28.844
where: short stacking energy: -24.180
Base-Backbone interact. energy: -0.897
local terms energy: -47.112215
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -223.435762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.435762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.435762 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -75.720
Base-Backbone interact. energy: -0.006
local terms energy: -81.137611
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -203.646456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.646456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.646456 (E_RNA)
where:
Base-Base interactions energy: -124.643
where: short stacking energy: -79.388
Base-Backbone interact. energy: -0.008
local terms energy: -78.995934
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -12.327
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -199.476132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.476132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.476132 (E_RNA)
where:
Base-Base interactions energy: -119.488
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.188
local terms energy: -79.800052
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -169.402282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.402282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.402282 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.015
local terms energy: -72.470232
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -161.957560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.957560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.957560 (E_RNA)
where:
Base-Base interactions energy: -97.722
where: short stacking energy: -59.342
Base-Backbone interact. energy: 0.150
local terms energy: -64.385811
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -102.649508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.649508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.649508 (E_RNA)
where:
Base-Base interactions energy: -40.024
where: short stacking energy: -39.303
Base-Backbone interact. energy: -0.057
local terms energy: -62.567740
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -3.801
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: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -93.415122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.415122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.415122 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -30.380
Base-Backbone interact. energy: -0.111
local terms energy: -62.238439
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -96.680353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.680353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.680353 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -37.819
Base-Backbone interact. energy: -0.010
local terms energy: -58.851748
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -95.655946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.655946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.655946 (E_RNA)
where:
Base-Base interactions energy: -44.646
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.149
local terms energy: -50.860348
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -87.103527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103527 (E_RNA)
where:
Base-Base interactions energy: -30.684
where: short stacking energy: -28.755
Base-Backbone interact. energy: -0.466
local terms energy: -55.953282
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.229
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -226.844490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.844490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.844490 (E_RNA)
where:
Base-Base interactions energy: -141.079
where: short stacking energy: -76.690
Base-Backbone interact. energy: -1.181
local terms energy: -84.584363
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -184.712941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.712941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.712941 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.194
local terms energy: -69.213098
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -6.492
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: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -198.938289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.938289 (E_RNA)
where:
Base-Base interactions energy: -120.375
where: short stacking energy: -67.415
Base-Backbone interact. energy: -0.001
local terms energy: -78.561988
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -18.596
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: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -173.311055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.311055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.311055 (E_RNA)
where:
Base-Base interactions energy: -99.888
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.270
local terms energy: -73.152844
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -168.000674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.000674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.000674 (E_RNA)
where:
Base-Base interactions energy: -97.742
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.040
local terms energy: -70.219086
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -100.991447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.991447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.991447 (E_RNA)
where:
Base-Base interactions energy: -47.097
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.157
local terms energy: -53.737663
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -99.492077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492077 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -34.621
Base-Backbone interact. energy: -0.114
local terms energy: -58.100825
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -89.926917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926917 (E_RNA)
where:
Base-Base interactions energy: -28.637
where: short stacking energy: -28.937
Base-Backbone interact. energy: -0.433
local terms energy: -60.857117
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -85.998963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.998963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.998963 (E_RNA)
where:
Base-Base interactions energy: -36.463
where: short stacking energy: -31.247
Base-Backbone interact. energy: -0.016
local terms energy: -49.519449
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -84.573916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573916 (E_RNA)
where:
Base-Base interactions energy: -23.950
where: short stacking energy: -23.950
Base-Backbone interact. energy: -0.172
local terms energy: -60.452319
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -0.287
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: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -216.527372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527372 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.017
local terms energy: -81.273952
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -22.231
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: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -176.586574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.586574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.586574 (E_RNA)
where:
Base-Base interactions energy: -107.973
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.303
local terms energy: -68.310353
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -10.655
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: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -199.812648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.812648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.812648 (E_RNA)
where:
Base-Base interactions energy: -117.680
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.354
local terms energy: -81.777976
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -19.401
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: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -190.046777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046777 (E_RNA)
where:
Base-Base interactions energy: -114.804
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.190
local terms energy: -75.052202
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -9.950
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: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -178.030225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.030225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.030225 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.003
local terms energy: -67.979760
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -106.495293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.495293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.495293 (E_RNA)
where:
Base-Base interactions energy: -49.101
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.178
local terms energy: -57.216886
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.787
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: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -95.666844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.666844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.666844 (E_RNA)
where:
Base-Base interactions energy: -39.049
where: short stacking energy: -21.976
Base-Backbone interact. energy: 0.194
local terms energy: -56.812069
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -1.597
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -88.632251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.632251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.632251 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -34.725
Base-Backbone interact. energy: 0.416
local terms energy: -51.410590
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -91.516893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.516893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.516893 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -36.825
Base-Backbone interact. energy: -0.178
local terms energy: -54.513934
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -87.026055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026055 (E_RNA)
where:
Base-Base interactions energy: -40.788
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.697
local terms energy: -45.541831
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -224.404333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.404333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.404333 (E_RNA)
where:
Base-Base interactions energy: -138.198
where: short stacking energy: -75.953
Base-Backbone interact. energy: -0.002
local terms energy: -86.204275
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -176.789506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.789506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.789506 (E_RNA)
where:
Base-Base interactions energy: -110.671
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.129
local terms energy: -65.989488
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -16.432
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: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -173.447997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.447997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.447997 (E_RNA)
where:
Base-Base interactions energy: -98.230
where: short stacking energy: -54.002
Base-Backbone interact. energy: -0.052
local terms energy: -75.166171
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -198.281508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.281508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.281508 (E_RNA)
where:
Base-Base interactions energy: -124.924
where: short stacking energy: -69.652
Base-Backbone interact. energy: -0.391
local terms energy: -72.966127
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -163.439937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.439937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.439937 (E_RNA)
where:
Base-Base interactions energy: -95.046
where: short stacking energy: -52.422
Base-Backbone interact. energy: -0.551
local terms energy: -67.843276
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -9.868
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: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -114.870931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.870931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.870931 (E_RNA)
where:
Base-Base interactions energy: -54.509
where: short stacking energy: -46.429
Base-Backbone interact. energy: -0.091
local terms energy: -60.271693
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -3.399
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: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -105.667539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.667539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.667539 (E_RNA)
where:
Base-Base interactions energy: -42.929
where: short stacking energy: -42.380
Base-Backbone interact. energy: -0.169
local terms energy: -62.569902
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -88.403195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403195 (E_RNA)
where:
Base-Base interactions energy: -29.093
where: short stacking energy: -29.093
Base-Backbone interact. energy: -0.115
local terms energy: -59.195026
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -91.864632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.864632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.864632 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -20.834
Base-Backbone interact. energy: -0.078
local terms energy: -52.358039
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -82.140590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.140590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.140590 (E_RNA)
where:
Base-Base interactions energy: -28.307
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.012
local terms energy: -53.821590
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -229.793697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.793697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.793697 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -84.042
Base-Backbone interact. energy: -0.019
local terms energy: -83.041632
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -180.933228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.933228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.933228 (E_RNA)
where:
Base-Base interactions energy: -105.608
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.834
local terms energy: -74.491412
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -181.039770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.039770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.039770 (E_RNA)
where:
Base-Base interactions energy: -108.653
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.128
local terms energy: -72.258860
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -185.538753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.538753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.538753 (E_RNA)
where:
Base-Base interactions energy: -121.578
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.120
local terms energy: -63.841251
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -11.215
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -165.146351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.146351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.146351 (E_RNA)
where:
Base-Base interactions energy: -96.104
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.049
local terms energy: -68.992898
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -9.531
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: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -109.216780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.216780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.216780 (E_RNA)
where:
Base-Base interactions energy: -48.816
where: short stacking energy: -39.399
Base-Backbone interact. energy: -0.070
local terms energy: -60.330111
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -104.164707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.164707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.164707 (E_RNA)
where:
Base-Base interactions energy: -44.514
where: short stacking energy: -35.314
Base-Backbone interact. energy: 0.154
local terms energy: -59.804039
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -100.024228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.024228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.024228 (E_RNA)
where:
Base-Base interactions energy: -43.346
where: short stacking energy: -39.135
Base-Backbone interact. energy: -0.090
local terms energy: -56.587906
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -83.536006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.536006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.536006 (E_RNA)
where:
Base-Base interactions energy: -37.407
where: short stacking energy: -36.938
Base-Backbone interact. energy: -0.255
local terms energy: -45.873810
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -84.497094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.497094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.497094 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.139
local terms energy: -40.078265
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -3.272
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: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -223.856177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.856177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.856177 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -79.924
Base-Backbone interact. energy: -0.002
local terms energy: -84.556367
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -184.820190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.820190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.820190 (E_RNA)
where:
Base-Base interactions energy: -107.974
where: short stacking energy: -70.014
Base-Backbone interact. energy: -0.072
local terms energy: -76.773824
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -14.387
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: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -189.365823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.365823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.365823 (E_RNA)
where:
Base-Base interactions energy: -110.748
where: short stacking energy: -55.777
Base-Backbone interact. energy: -0.115
local terms energy: -78.503600
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -13.621
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: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -182.059908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.059908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059908 (E_RNA)
where:
Base-Base interactions energy: -103.836
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.248
local terms energy: -77.976046
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -11.645
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: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -163.165486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.165486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.165486 (E_RNA)
where:
Base-Base interactions energy: -92.843
where: short stacking energy: -49.060
Base-Backbone interact. energy: -0.096
local terms energy: -70.226458
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -111.887754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.887754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.887754 (E_RNA)
where:
Base-Base interactions energy: -53.108
where: short stacking energy: -47.992
Base-Backbone interact. energy: -0.276
local terms energy: -58.503169
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.571
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: 7, replica: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -98.643900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.643900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.643900 (E_RNA)
where:
Base-Base interactions energy: -46.844
where: short stacking energy: -44.689
Base-Backbone interact. energy: -0.018
local terms energy: -51.781980
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -92.373870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.373870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.373870 (E_RNA)
where:
Base-Base interactions energy: -34.980
where: short stacking energy: -29.635
Base-Backbone interact. energy: -0.208
local terms energy: -57.185695
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.261
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: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -104.063459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.063459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.063459 (E_RNA)
where:
Base-Base interactions energy: -50.612
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.540
local terms energy: -52.910853
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -83.020051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.020051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.020051 (E_RNA)
where:
Base-Base interactions energy: -30.712
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.410
local terms energy: -51.897713
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -0.172
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: 44
Temperature: 0.900000
Total energy: -223.434703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434703 (E_RNA)
where:
Base-Base interactions energy: -135.076
where: short stacking energy: -81.306
Base-Backbone interact. energy: -0.008
local terms energy: -88.350651
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -185.868528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.868528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.868528 (E_RNA)
where:
Base-Base interactions energy: -113.684
where: short stacking energy: -68.625
Base-Backbone interact. energy: 0.909
local terms energy: -73.094031
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -184.912228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.912228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.912228 (E_RNA)
where:
Base-Base interactions energy: -112.086
where: short stacking energy: -63.951
Base-Backbone interact. energy: 0.739
local terms energy: -73.565334
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -182.242194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.242194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.242194 (E_RNA)
where:
Base-Base interactions energy: -112.747
where: short stacking energy: -73.048
Base-Backbone interact. energy: -0.075
local terms energy: -69.420167
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -177.655312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.655312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.655312 (E_RNA)
where:
Base-Base interactions energy: -102.447
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.054
local terms energy: -75.154634
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -106.770477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.770477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.770477 (E_RNA)
where:
Base-Base interactions energy: -54.799
where: short stacking energy: -50.239
Base-Backbone interact. energy: -0.497
local terms energy: -51.474400
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -6.100
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: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -95.001475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.001475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.001475 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.195
local terms energy: -62.049499
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -92.396865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.396865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.396865 (E_RNA)
where:
Base-Base interactions energy: -36.786
where: short stacking energy: -33.226
Base-Backbone interact. energy: -0.175
local terms energy: -55.435422
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -92.293075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.293075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.293075 (E_RNA)
where:
Base-Base interactions energy: -29.818
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.018
local terms energy: -62.457022
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -81.223826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.223826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.223826 (E_RNA)
where:
Base-Base interactions energy: -27.317
where: short stacking energy: -27.317
Base-Backbone interact. energy: -0.112
local terms energy: -53.794378
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -9.363
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: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -222.657525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.657525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.657525 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -77.477
Base-Backbone interact. energy: -0.026
local terms energy: -83.665875
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -22.883
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: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -196.434718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.434718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.434718 (E_RNA)
where:
Base-Base interactions energy: -129.175
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.435
local terms energy: -66.825522
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -15.859
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: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -172.531226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.531226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.531226 (E_RNA)
where:
Base-Base interactions energy: -99.605
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.099
local terms energy: -72.827231
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -176.304736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.304736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.304736 (E_RNA)
where:
Base-Base interactions energy: -103.322
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.068
local terms energy: -72.914030
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -169.069760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.069760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.069760 (E_RNA)
where:
Base-Base interactions energy: -104.662
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.385
local terms energy: -64.022271
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -107.843336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.843336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.843336 (E_RNA)
where:
Base-Base interactions energy: -49.870
where: short stacking energy: -49.970
Base-Backbone interact. energy: 1.287
local terms energy: -59.261023
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -99.260795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.260795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.260795 (E_RNA)
where:
Base-Base interactions energy: -38.054
where: short stacking energy: -38.054
Base-Backbone interact. energy: -0.120
local terms energy: -61.087160
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -94.892737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.892737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.892737 (E_RNA)
where:
Base-Base interactions energy: -36.234
where: short stacking energy: -32.442
Base-Backbone interact. energy: 2.920
local terms energy: -61.579173
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.552
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: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -104.667882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.667882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.667882 (E_RNA)
where:
Base-Base interactions energy: -49.462
where: short stacking energy: -37.335
Base-Backbone interact. energy: -0.735
local terms energy: -54.471180
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -8.411
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: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.862017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.862017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.862017 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -37.180
Base-Backbone interact. energy: 1.373
local terms energy: -49.069981
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -217.554546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554546 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -78.440
Base-Backbone interact. energy: -1.295
local terms energy: -83.758235
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -205.638694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.638694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.638694 (E_RNA)
where:
Base-Base interactions energy: -126.893
where: short stacking energy: -70.512
Base-Backbone interact. energy: 0.020
local terms energy: -78.766133
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -170.489104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.489104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.489104 (E_RNA)
where:
Base-Base interactions energy: -102.167
where: short stacking energy: -56.326
Base-Backbone interact. energy: -0.089
local terms energy: -68.232700
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -170.500989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.500989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.500989 (E_RNA)
where:
Base-Base interactions energy: -100.844
where: short stacking energy: -62.040
Base-Backbone interact. energy: -0.432
local terms energy: -69.225758
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -174.839484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.839484 (E_RNA)
where:
Base-Base interactions energy: -113.787
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.005
local terms energy: -61.046730
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -98.448503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.448503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.448503 (E_RNA)
where:
Base-Base interactions energy: -49.534
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.459
local terms energy: -48.455432
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -89.311998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.311998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.311998 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -35.033
Base-Backbone interact. energy: -0.229
local terms energy: -49.164691
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -1.004
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: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -108.206375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.206375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.206375 (E_RNA)
where:
Base-Base interactions energy: -53.570
where: short stacking energy: -39.468
Base-Backbone interact. energy: -0.094
local terms energy: -54.542531
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -79.305343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.305343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.305343 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -29.268
Base-Backbone interact. energy: -0.255
local terms energy: -48.236323
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -84.692228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.692228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.692228 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.136
local terms energy: -50.472313
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: 3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -211.807954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.807954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.807954 (E_RNA)
where:
Base-Base interactions energy: -136.729
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.379
local terms energy: -74.699672
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -21.733
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -199.259550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.259550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.259550 (E_RNA)
where:
Base-Base interactions energy: -125.235
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.028
local terms energy: -73.996961
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -168.019719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.019719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.019719 (E_RNA)
where:
Base-Base interactions energy: -100.543
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.104
local terms energy: -67.372607
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -176.847989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.847989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.847989 (E_RNA)
where:
Base-Base interactions energy: -107.714
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.175
local terms energy: -68.959678
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -171.882146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.882146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.882146 (E_RNA)
where:
Base-Base interactions energy: -104.635
where: short stacking energy: -59.187
Base-Backbone interact. energy: -1.199
local terms energy: -66.047701
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -108.776128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.776128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.776128 (E_RNA)
where:
Base-Base interactions energy: -60.284
where: short stacking energy: -39.211
Base-Backbone interact. energy: -0.021
local terms energy: -48.470552
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -95.525509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.525509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.525509 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -34.811
Base-Backbone interact. energy: -0.054
local terms energy: -58.637905
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -82.437686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437686 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.148
local terms energy: -53.609330
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -78.261754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.261754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.261754 (E_RNA)
where:
Base-Base interactions energy: -29.421
where: short stacking energy: -23.646
Base-Backbone interact. energy: -0.173
local terms energy: -48.668336
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 0.691
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: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -95.123934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.123934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.123934 (E_RNA)
where:
Base-Base interactions energy: -37.473
where: short stacking energy: -34.648
Base-Backbone interact. energy: -0.061
local terms energy: -57.589881
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -9.645
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: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -205.626645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.626645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.626645 (E_RNA)
where:
Base-Base interactions energy: -133.810
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.463
local terms energy: -71.354042
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -216.272460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.272460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.272460 (E_RNA)
where:
Base-Base interactions energy: -129.586
where: short stacking energy: -69.387
Base-Backbone interact. energy: -0.769
local terms energy: -85.916740
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -173.474969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.474969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.474969 (E_RNA)
where:
Base-Base interactions energy: -101.798
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.006
local terms energy: -71.670309
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -165.261075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.261075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.261075 (E_RNA)
where:
Base-Base interactions energy: -90.373
where: short stacking energy: -52.329
Base-Backbone interact. energy: -0.400
local terms energy: -74.488420
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -8.091
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: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -117.326122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.326122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.326122 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.128
local terms energy: -69.159188
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -12.739
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -170.724465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724465 (E_RNA)
where:
Base-Base interactions energy: -110.219
where: short stacking energy: -59.496
Base-Backbone interact. energy: 1.040
local terms energy: -61.545094
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.653
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: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -99.704003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.704003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.704003 (E_RNA)
where:
Base-Base interactions energy: -34.755
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.177
local terms energy: -64.772157
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -6.404
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: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -96.913634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.913634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.913634 (E_RNA)
where:
Base-Base interactions energy: -38.551
where: short stacking energy: -38.551
Base-Backbone interact. energy: -0.144
local terms energy: -58.218304
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -93.400900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400900 (E_RNA)
where:
Base-Base interactions energy: -31.618
where: short stacking energy: -31.618
Base-Backbone interact. energy: -0.135
local terms energy: -61.648090
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -79.330949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.330949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.330949 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -24.660
Base-Backbone interact. energy: -0.245
local terms energy: -49.803151
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -209.481864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.481864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.481864 (E_RNA)
where:
Base-Base interactions energy: -132.487
where: short stacking energy: -76.911
Base-Backbone interact. energy: -0.010
local terms energy: -76.985311
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -204.845028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.845028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.845028 (E_RNA)
where:
Base-Base interactions energy: -123.568
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.002
local terms energy: -81.275137
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -185.297112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.297112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.297112 (E_RNA)
where:
Base-Base interactions energy: -112.520
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.234
local terms energy: -72.542400
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -179.131019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.131019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.131019 (E_RNA)
where:
Base-Base interactions energy: -107.286
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.025
local terms energy: -71.820524
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -121.650756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.650756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.650756 (E_RNA)
where:
Base-Base interactions energy: -59.875
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.086
local terms energy: -61.689579
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -163.068115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.068115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.068115 (E_RNA)
where:
Base-Base interactions energy: -96.441
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.286
local terms energy: -66.341077
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -10.221
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: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -104.677102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.677102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.677102 (E_RNA)
where:
Base-Base interactions energy: -46.072
where: short stacking energy: -46.072
Base-Backbone interact. energy: 0.018
local terms energy: -58.623202
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -6.272
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: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -88.148048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.148048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.148048 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -30.839
Base-Backbone interact. energy: 0.297
local terms energy: -53.512425
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -8.913
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -83.942680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942680 (E_RNA)
where:
Base-Base interactions energy: -42.176
where: short stacking energy: -42.176
Base-Backbone interact. energy: 0.257
local terms energy: -42.024455
where:
bonds (distance) C4'-P energy: -3.835
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: 0.537
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: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -98.190884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.190884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.190884 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -20.775
Base-Backbone interact. energy: -0.041
local terms energy: -52.104489
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -214.240082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.240082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.240082 (E_RNA)
where:
Base-Base interactions energy: -137.571
where: short stacking energy: -78.614
Base-Backbone interact. energy: -0.000
local terms energy: -76.669085
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -187.544434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.544434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.544434 (E_RNA)
where:
Base-Base interactions energy: -123.280
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.156
local terms energy: -64.109183
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -181.213583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.213583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.213583 (E_RNA)
where:
Base-Base interactions energy: -106.031
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.029
local terms energy: -75.153337
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.497
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: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -170.502029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.502029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.502029 (E_RNA)
where:
Base-Base interactions energy: -102.649
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.052
local terms energy: -67.801069
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -170.461605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.461605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.461605 (E_RNA)
where:
Base-Base interactions energy: -105.993
where: short stacking energy: -58.259
Base-Backbone interact. energy: -0.045
local terms energy: -64.423935
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -12.884
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: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -107.627477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.627477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.627477 (E_RNA)
where:
Base-Base interactions energy: -47.497
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.145
local terms energy: -59.985181
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -9.611
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: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -98.035097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.035097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.035097 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -29.811
Base-Backbone interact. energy: -0.155
local terms energy: -67.096090
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -6.274
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: 50
Temperature: 1.250000
Total energy: -96.769637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.769637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.769637 (E_RNA)
where:
Base-Base interactions energy: -37.665
where: short stacking energy: -32.967
Base-Backbone interact. energy: -0.260
local terms energy: -58.844994
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -81.206023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.206023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.206023 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.167
local terms energy: -45.108777
where:
bonds (distance) C4'-P energy: -8.167
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -91.611390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611390 (E_RNA)
where:
Base-Base interactions energy: -51.480
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.445
local terms energy: -39.687069
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -214.622678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.622678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.622678 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -79.800
Base-Backbone interact. energy: -0.066
local terms energy: -72.252842
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -195.194327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.194327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.194327 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -64.845
Base-Backbone interact. energy: 0.590
local terms energy: -67.746811
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -188.283791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.283791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.283791 (E_RNA)
where:
Base-Base interactions energy: -108.947
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.003
local terms energy: -79.334125
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -166.849095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.849095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.849095 (E_RNA)
where:
Base-Base interactions energy: -101.921
where: short stacking energy: -61.341
Base-Backbone interact. energy: 0.951
local terms energy: -65.879140
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -11.541
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: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -170.028995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.028995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.028995 (E_RNA)
where:
Base-Base interactions energy: -109.407
where: short stacking energy: -60.072
Base-Backbone interact. energy: 0.418
local terms energy: -61.040086
where:
bonds (distance) C4'-P energy: -5.829
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -11.148
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: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -107.582307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.582307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.582307 (E_RNA)
where:
Base-Base interactions energy: -43.602
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.073
local terms energy: -63.906760
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.843
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -105.619021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.619021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.619021 (E_RNA)
where:
Base-Base interactions energy: -41.053
where: short stacking energy: -41.053
Base-Backbone interact. energy: -0.011
local terms energy: -64.555316
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -77.345650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.345650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.345650 (E_RNA)
where:
Base-Base interactions energy: -23.355
where: short stacking energy: -22.780
Base-Backbone interact. energy: -0.222
local terms energy: -53.768218
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.989
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: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -83.021804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.021804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.021804 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -35.875
Base-Backbone interact. energy: 0.293
local terms energy: -47.439461
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -82.915694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.915694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.915694 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -32.807
Base-Backbone interact. energy: 0.522
local terms energy: -50.543861
where:
bonds (distance) C4'-P energy: -4.923
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -221.707411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.707411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.707411 (E_RNA)
where:
Base-Base interactions energy: -137.090
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.158
local terms energy: -84.460086
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -22.910
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: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -182.128756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.128756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.128756 (E_RNA)
where:
Base-Base interactions energy: -116.175
where: short stacking energy: -62.283
Base-Backbone interact. energy: 0.066
local terms energy: -66.020156
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -193.553582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.553582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.553582 (E_RNA)
where:
Base-Base interactions energy: -109.582
where: short stacking energy: -68.315
Base-Backbone interact. energy: -0.015
local terms energy: -83.956225
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -20.304
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -168.404674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.404674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.404674 (E_RNA)
where:
Base-Base interactions energy: -97.147
where: short stacking energy: -59.011
Base-Backbone interact. energy: -0.272
local terms energy: -70.986538
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -156.919124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.919124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.919124 (E_RNA)
where:
Base-Base interactions energy: -89.303
where: short stacking energy: -53.090
Base-Backbone interact. energy: 0.055
local terms energy: -67.671161
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -96.299670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.299670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.299670 (E_RNA)
where:
Base-Base interactions energy: -34.927
where: short stacking energy: -32.475
Base-Backbone interact. energy: -0.153
local terms energy: -61.219280
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -5.214
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -106.696495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.696495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.696495 (E_RNA)
where:
Base-Base interactions energy: -50.583
where: short stacking energy: -29.669
Base-Backbone interact. energy: -0.208
local terms energy: -55.904988
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -133.591041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.591041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.591041 (E_RNA)
where:
Base-Base interactions energy: -85.831
where: short stacking energy: -47.736
Base-Backbone interact. energy: -0.078
local terms energy: -47.682172
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.403043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.403043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.403043 (E_RNA)
where:
Base-Base interactions energy: -30.119
where: short stacking energy: -24.773
Base-Backbone interact. energy: -0.084
local terms energy: -52.200079
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -96.264735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.264735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.264735 (E_RNA)
where:
Base-Base interactions energy: -39.938
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.061
local terms energy: -56.265544
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -10.372
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: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -221.524797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.524797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.524797 (E_RNA)
where:
Base-Base interactions energy: -133.376
where: short stacking energy: -83.710
Base-Backbone interact. energy: -0.107
local terms energy: -88.042080
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.555
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: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -182.150385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.150385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.150385 (E_RNA)
where:
Base-Base interactions energy: -108.802
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.072
local terms energy: -73.275923
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -184.588530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.588530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.588530 (E_RNA)
where:
Base-Base interactions energy: -112.328
where: short stacking energy: -66.559
Base-Backbone interact. energy: -0.501
local terms energy: -71.759605
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -181.631957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.631957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.631957 (E_RNA)
where:
Base-Base interactions energy: -107.569
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.001
local terms energy: -74.061607
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -152.830319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.830319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.830319 (E_RNA)
where:
Base-Base interactions energy: -90.451
where: short stacking energy: -47.773
Base-Backbone interact. energy: -0.116
local terms energy: -62.264111
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -11.247
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: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -100.454002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.454002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.454002 (E_RNA)
where:
Base-Base interactions energy: -52.425
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.025
local terms energy: -48.004414
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -8.275
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: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -122.437029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.437029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.437029 (E_RNA)
where:
Base-Base interactions energy: -64.251
where: short stacking energy: -31.635
Base-Backbone interact. energy: 0.553
local terms energy: -58.738927
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -143.363907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.363907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.363907 (E_RNA)
where:
Base-Base interactions energy: -72.978
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.108
local terms energy: -70.277917
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -85.205676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.205676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.205676 (E_RNA)
where:
Base-Base interactions energy: -34.988
where: short stacking energy: -34.988
Base-Backbone interact. energy: 1.277
local terms energy: -51.494803
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -8.872
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: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -73.613519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.613519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.613519 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.203
local terms energy: -48.001713
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -5.548
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: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -190.750720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.750720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.750720 (E_RNA)
where:
Base-Base interactions energy: -109.128
where: short stacking energy: -71.187
Base-Backbone interact. energy: -0.107
local terms energy: -81.516081
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -212.419478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.419478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.419478 (E_RNA)
where:
Base-Base interactions energy: -132.529
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.025
local terms energy: -79.865121
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -13.291
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: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -192.910882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.910882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.910882 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.004
local terms energy: -82.342671
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -179.220244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.220244 (E_RNA)
where:
Base-Base interactions energy: -103.899
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.207
local terms energy: -75.113912
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -164.546376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.546376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.546376 (E_RNA)
where:
Base-Base interactions energy: -93.696
where: short stacking energy: -48.512
Base-Backbone interact. energy: 0.502
local terms energy: -71.351584
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.395
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: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -107.005442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.005442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.005442 (E_RNA)
where:
Base-Base interactions energy: -39.284
where: short stacking energy: -30.302
Base-Backbone interact. energy: -0.084
local terms energy: -67.638243
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -160.745605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.745605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.745605 (E_RNA)
where:
Base-Base interactions energy: -93.581
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.291
local terms energy: -66.873776
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -126.298898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.298898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.298898 (E_RNA)
where:
Base-Base interactions energy: -58.242
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.027
local terms energy: -68.029782
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -89.910322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.910322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.910322 (E_RNA)
where:
Base-Base interactions energy: -48.259
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.868
local terms energy: -40.783041
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: 2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -84.364604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.364604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.364604 (E_RNA)
where:
Base-Base interactions energy: -24.595
where: short stacking energy: -19.690
Base-Backbone interact. energy: -0.072
local terms energy: -59.697112
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -202.289869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.289869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.289869 (E_RNA)
where:
Base-Base interactions energy: -121.821
where: short stacking energy: -78.449
Base-Backbone interact. energy: -0.046
local terms energy: -80.423388
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -195.069883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.069883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.069883 (E_RNA)
where:
Base-Base interactions energy: -115.199
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.048
local terms energy: -79.823158
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -195.670730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.670730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.670730 (E_RNA)
where:
Base-Base interactions energy: -122.590
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.003
local terms energy: -73.077855
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -169.394506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.394506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.394506 (E_RNA)
where:
Base-Base interactions energy: -98.961
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.129
local terms energy: -70.304605
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -178.652935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.652935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.652935 (E_RNA)
where:
Base-Base interactions energy: -115.724
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.142
local terms energy: -62.786716
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -146.709235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.709235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.709235 (E_RNA)
where:
Base-Base interactions energy: -81.413
where: short stacking energy: -36.750
Base-Backbone interact. energy: -0.204
local terms energy: -65.092038
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -115.972803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.972803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.972803 (E_RNA)
where:
Base-Base interactions energy: -59.215
where: short stacking energy: -38.625
Base-Backbone interact. energy: -0.113
local terms energy: -56.644973
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -8.317
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: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -85.432846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.432846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.432846 (E_RNA)
where:
Base-Base interactions energy: -35.712
where: short stacking energy: -19.186
Base-Backbone interact. energy: 1.609
local terms energy: -51.330323
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.070
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: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -71.494236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.494236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.494236 (E_RNA)
where:
Base-Base interactions energy: -19.795
where: short stacking energy: -19.795
Base-Backbone interact. energy: -0.331
local terms energy: -51.368515
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -84.071646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.071646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.071646 (E_RNA)
where:
Base-Base interactions energy: -37.305
where: short stacking energy: -33.600
Base-Backbone interact. energy: -0.157
local terms energy: -46.608740
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -195.456511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.456511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.456511 (E_RNA)
where:
Base-Base interactions energy: -113.539
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.006
local terms energy: -81.911391
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.150
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: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -184.627575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.627575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.627575 (E_RNA)
where:
Base-Base interactions energy: -111.962
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.107
local terms energy: -72.558357
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -202.253914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.253914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.253914 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.028
local terms energy: -71.229768
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -167.536969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.536969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.536969 (E_RNA)
where:
Base-Base interactions energy: -99.848
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.373
local terms energy: -67.315814
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -182.770756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.770756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.770756 (E_RNA)
where:
Base-Base interactions energy: -115.679
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.006
local terms energy: -67.086101
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -17.877
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -147.745275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.745275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.745275 (E_RNA)
where:
Base-Base interactions energy: -91.280
where: short stacking energy: -44.154
Base-Backbone interact. energy: -0.613
local terms energy: -55.852318
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -5.356
flat angles P-C4'-P energy: -11.827
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -98.916299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.916299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.916299 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -36.603
Base-Backbone interact. energy: -0.158
local terms energy: -62.156050
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -106.419250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.419250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.419250 (E_RNA)
where:
Base-Base interactions energy: -46.488
where: short stacking energy: -45.058
Base-Backbone interact. energy: -0.073
local terms energy: -59.858616
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.746
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: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -90.090120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090120 (E_RNA)
where:
Base-Base interactions energy: -42.106
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.015
local terms energy: -47.969254
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -83.818259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.818259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.818259 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.240
local terms energy: -51.984988
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.675
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: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -196.233303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.233303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.233303 (E_RNA)
where:
Base-Base interactions energy: -119.303
where: short stacking energy: -77.513
Base-Backbone interact. energy: -0.006
local terms energy: -76.924767
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -208.672683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.672683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.672683 (E_RNA)
where:
Base-Base interactions energy: -129.937
where: short stacking energy: -68.907
Base-Backbone interact. energy: -0.187
local terms energy: -78.548704
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -185.052765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.052765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.052765 (E_RNA)
where:
Base-Base interactions energy: -109.427
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.059
local terms energy: -75.566140
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -169.545771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.545771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.545771 (E_RNA)
where:
Base-Base interactions energy: -109.964
where: short stacking energy: -60.064
Base-Backbone interact. energy: -0.006
local terms energy: -59.575996
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -154.431939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.431939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.431939 (E_RNA)
where:
Base-Base interactions energy: -100.645
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.472
local terms energy: -53.315110
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -145.877980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.877980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.877980 (E_RNA)
where:
Base-Base interactions energy: -88.405
where: short stacking energy: -44.452
Base-Backbone interact. energy: 0.777
local terms energy: -58.249681
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.109
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: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -111.845001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.845001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.845001 (E_RNA)
where:
Base-Base interactions energy: -43.664
where: short stacking energy: -43.600
Base-Backbone interact. energy: -0.004
local terms energy: -68.177142
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -100.276406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.276406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.276406 (E_RNA)
where:
Base-Base interactions energy: -55.803
where: short stacking energy: -31.784
Base-Backbone interact. energy: -0.561
local terms energy: -43.912737
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -93.400195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400195 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.162
local terms energy: -58.226816
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -4.950
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: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -87.921586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.921586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.921586 (E_RNA)
where:
Base-Base interactions energy: -28.908
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.237
local terms energy: -58.776445
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -12.483
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -213.559653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.559653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.559653 (E_RNA)
where:
Base-Base interactions energy: -141.134
where: short stacking energy: -83.717
Base-Backbone interact. energy: -0.134
local terms energy: -72.292218
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -6.916
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.824
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -184.515451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.515451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.515451 (E_RNA)
where:
Base-Base interactions energy: -107.799
where: short stacking energy: -63.378
Base-Backbone interact. energy: 0.391
local terms energy: -77.107871
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.951
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: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -191.582659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.582659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.582659 (E_RNA)
where:
Base-Base interactions energy: -114.893
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.014
local terms energy: -76.676492
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -177.391522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.391522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.391522 (E_RNA)
where:
Base-Base interactions energy: -109.100
where: short stacking energy: -66.537
Base-Backbone interact. energy: -0.012
local terms energy: -68.280061
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -178.226360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.226360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.226360 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.092
local terms energy: -68.017173
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.879
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: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -144.677549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.677549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.677549 (E_RNA)
where:
Base-Base interactions energy: -87.197
where: short stacking energy: -49.718
Base-Backbone interact. energy: 0.503
local terms energy: -57.983295
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -96.547552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.547552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.547552 (E_RNA)
where:
Base-Base interactions energy: -41.177
where: short stacking energy: -35.190
Base-Backbone interact. energy: 0.383
local terms energy: -55.753240
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -5.677
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: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -85.320657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.320657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.320657 (E_RNA)
where:
Base-Base interactions energy: -29.800
where: short stacking energy: -25.488
Base-Backbone interact. energy: 0.309
local terms energy: -55.830102
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -84.664319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.664319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.664319 (E_RNA)
where:
Base-Base interactions energy: -38.967
where: short stacking energy: -29.900
Base-Backbone interact. energy: -0.312
local terms energy: -45.385247
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -85.121876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.121876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.121876 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.106
local terms energy: -52.136891
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -219.392100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.392100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.392100 (E_RNA)
where:
Base-Base interactions energy: -136.213
where: short stacking energy: -84.050
Base-Backbone interact. energy: -0.085
local terms energy: -83.093941
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -204.943414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.943414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.943414 (E_RNA)
where:
Base-Base interactions energy: -128.783
where: short stacking energy: -68.438
Base-Backbone interact. energy: -0.059
local terms energy: -76.101182
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -180.583759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.583759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.583759 (E_RNA)
where:
Base-Base interactions energy: -106.588
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.249
local terms energy: -73.746699
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -184.125538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.125538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.125538 (E_RNA)
where:
Base-Base interactions energy: -112.086
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.100
local terms energy: -71.939235
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -175.536487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.536487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.536487 (E_RNA)
where:
Base-Base interactions energy: -104.423
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.002
local terms energy: -71.111318
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -147.708728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.708728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.708728 (E_RNA)
where:
Base-Base interactions energy: -81.120
where: short stacking energy: -44.626
Base-Backbone interact. energy: -0.103
local terms energy: -66.486327
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -90.023851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.023851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.023851 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.149
local terms energy: -57.795138
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -95.792652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.792652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.792652 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -28.998
Base-Backbone interact. energy: -0.259
local terms energy: -53.961889
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: 1.339
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: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -89.830209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.830209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.830209 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -35.656
Base-Backbone interact. energy: -0.178
local terms energy: -53.995665
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -84.636982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636982 (E_RNA)
where:
Base-Base interactions energy: -34.039
where: short stacking energy: -34.057
Base-Backbone interact. energy: -0.260
local terms energy: -50.337557
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -217.508154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.508154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.508154 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -73.197
Base-Backbone interact. energy: -0.123
local terms energy: -81.567613
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -20.557
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: 60
Temperature: 0.950000
Total energy: -216.482871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.482871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.482871 (E_RNA)
where:
Base-Base interactions energy: -127.420
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.073
local terms energy: -88.989875
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -180.093426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093426 (E_RNA)
where:
Base-Base interactions energy: -110.508
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.212
local terms energy: -69.373850
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -166.806636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.806636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.806636 (E_RNA)
where:
Base-Base interactions energy: -98.638
where: short stacking energy: -57.551
Base-Backbone interact. energy: 0.129
local terms energy: -68.297888
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -159.020673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020673 (E_RNA)
where:
Base-Base interactions energy: -89.832
where: short stacking energy: -49.032
Base-Backbone interact. energy: -0.027
local terms energy: -69.161833
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -161.594722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.594722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.594722 (E_RNA)
where:
Base-Base interactions energy: -97.977
where: short stacking energy: -54.193
Base-Backbone interact. energy: -0.007
local terms energy: -63.611326
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -104.945192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.945192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.945192 (E_RNA)
where:
Base-Base interactions energy: -33.223
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.300
local terms energy: -71.421594
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -101.427425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.427425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.427425 (E_RNA)
where:
Base-Base interactions energy: -42.628
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.399
local terms energy: -58.400982
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -3.176
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: 60
Temperature: 1.300000
Total energy: -89.179246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.179246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.179246 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.144
local terms energy: -57.902721
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -89.045492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.045492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.045492 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.057
local terms energy: -56.351971
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -5.235
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: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -204.700697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.700697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.700697 (E_RNA)
where:
Base-Base interactions energy: -134.626
where: short stacking energy: -72.594
Base-Backbone interact. energy: -0.009
local terms energy: -70.064925
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -219.480960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.480960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.480960 (E_RNA)
where:
Base-Base interactions energy: -140.616
where: short stacking energy: -84.966
Base-Backbone interact. energy: -0.003
local terms energy: -78.862238
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -185.096387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.096387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.096387 (E_RNA)
where:
Base-Base interactions energy: -113.285
where: short stacking energy: -64.791
Base-Backbone interact. energy: -0.009
local terms energy: -71.802566
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -164.552691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.552691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.552691 (E_RNA)
where:
Base-Base interactions energy: -97.191
where: short stacking energy: -54.253
Base-Backbone interact. energy: -0.100
local terms energy: -67.261839
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -168.973265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.973265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.973265 (E_RNA)
where:
Base-Base interactions energy: -100.045
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.060
local terms energy: -68.868236
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -101.596176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.596176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.596176 (E_RNA)
where:
Base-Base interactions energy: -49.032
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.352
local terms energy: -52.213071
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -11.901
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -141.758274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.758274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.758274 (E_RNA)
where:
Base-Base interactions energy: -89.095
where: short stacking energy: -37.933
Base-Backbone interact. energy: 2.068
local terms energy: -54.731279
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -97.113157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113157 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.492
local terms energy: -57.515741
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -87.563169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.563169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.563169 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.042
local terms energy: -53.288025
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -77.686755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.686755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.686755 (E_RNA)
where:
Base-Base interactions energy: -31.240
where: short stacking energy: -31.240
Base-Backbone interact. energy: -0.000
local terms energy: -46.447009
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -216.684379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.684379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.684379 (E_RNA)
where:
Base-Base interactions energy: -132.479
where: short stacking energy: -73.734
Base-Backbone interact. energy: -1.687
local terms energy: -82.517657
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -194.336120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.336120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.336120 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -71.570
Base-Backbone interact. energy: -0.001
local terms energy: -71.661145
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -184.735600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.735600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.735600 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -74.591
Base-Backbone interact. energy: -0.089
local terms energy: -66.886907
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -163.891475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.891475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.891475 (E_RNA)
where:
Base-Base interactions energy: -98.795
where: short stacking energy: -50.564
Base-Backbone interact. energy: 0.742
local terms energy: -65.838445
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -156.613698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.613698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.613698 (E_RNA)
where:
Base-Base interactions energy: -90.122
where: short stacking energy: -52.674
Base-Backbone interact. energy: -0.245
local terms energy: -66.245970
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -116.264492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.264492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.264492 (E_RNA)
where:
Base-Base interactions energy: -53.349
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.201
local terms energy: -62.713624
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -12.507
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: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -160.932628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.932628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.932628 (E_RNA)
where:
Base-Base interactions energy: -89.408
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.009
local terms energy: -71.515487
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -15.253
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -88.799130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.799130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.799130 (E_RNA)
where:
Base-Base interactions energy: -39.529
where: short stacking energy: -36.635
Base-Backbone interact. energy: -0.145
local terms energy: -49.124509
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -96.878194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878194 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -40.932
Base-Backbone interact. energy: 0.201
local terms energy: -56.568845
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -8.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -81.926265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.926265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.926265 (E_RNA)
where:
Base-Base interactions energy: -30.947
where: short stacking energy: -30.947
Base-Backbone interact. energy: 1.375
local terms energy: -52.354949
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -8.306
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: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -220.752411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.752411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.752411 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -84.288
Base-Backbone interact. energy: 1.116
local terms energy: -81.064939
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -183.829716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.829716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.829716 (E_RNA)
where:
Base-Base interactions energy: -108.209
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.236
local terms energy: -75.385071
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -196.543781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.543781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.543781 (E_RNA)
where:
Base-Base interactions energy: -122.428
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.225
local terms energy: -73.890036
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -6.146
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: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -169.949662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.949662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.949662 (E_RNA)
where:
Base-Base interactions energy: -97.518
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.002
local terms energy: -72.430224
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -139.552895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.552895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.552895 (E_RNA)
where:
Base-Base interactions energy: -78.890
where: short stacking energy: -44.088
Base-Backbone interact. energy: -0.123
local terms energy: -60.539914
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -11.670
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: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -155.383416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.383416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.383416 (E_RNA)
where:
Base-Base interactions energy: -93.530
where: short stacking energy: -41.506
Base-Backbone interact. energy: -0.132
local terms energy: -61.721593
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -89.572284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572284 (E_RNA)
where:
Base-Base interactions energy: -43.049
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.196
local terms energy: -46.327181
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -97.304058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.304058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.304058 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.111
local terms energy: -59.690433
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -76.405553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405553 (E_RNA)
where:
Base-Base interactions energy: -22.816
where: short stacking energy: -22.816
Base-Backbone interact. energy: 1.109
local terms energy: -54.697700
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -2.227
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: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -73.792341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.792341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.792341 (E_RNA)
where:
Base-Base interactions energy: -21.479
where: short stacking energy: -19.586
Base-Backbone interact. energy: -0.127
local terms energy: -52.186458
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -217.051899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.051899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.051899 (E_RNA)
where:
Base-Base interactions energy: -131.408
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.001
local terms energy: -85.643102
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -187.504403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.504403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.504403 (E_RNA)
where:
Base-Base interactions energy: -109.295
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.195
local terms energy: -78.014626
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -183.746134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.746134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.746134 (E_RNA)
where:
Base-Base interactions energy: -106.723
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.065
local terms energy: -76.958676
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -12.080
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: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -186.737931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.737931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.737931 (E_RNA)
where:
Base-Base interactions energy: -114.972
where: short stacking energy: -61.811
Base-Backbone interact. energy: 0.226
local terms energy: -71.991648
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -3.487
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -160.861208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.861208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.861208 (E_RNA)
where:
Base-Base interactions energy: -95.208
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.670
local terms energy: -64.983383
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -135.109022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.109022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.109022 (E_RNA)
where:
Base-Base interactions energy: -77.006
where: short stacking energy: -46.951
Base-Backbone interact. energy: -0.099
local terms energy: -58.004148
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -105.359100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.359100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.359100 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -44.673
Base-Backbone interact. energy: -0.063
local terms energy: -60.623029
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -11.166
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: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -83.493416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.493416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.493416 (E_RNA)
where:
Base-Base interactions energy: -29.697
where: short stacking energy: -20.524
Base-Backbone interact. energy: -0.157
local terms energy: -53.638767
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -85.559696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.559696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.559696 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -31.090
Base-Backbone interact. energy: -0.132
local terms energy: -51.842949
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -80.919991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.919991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.919991 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.108
local terms energy: -53.410353
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -214.560450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.560450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.560450 (E_RNA)
where:
Base-Base interactions energy: -129.640
where: short stacking energy: -78.073
Base-Backbone interact. energy: -0.009
local terms energy: -84.911498
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -172.618859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.618859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.618859 (E_RNA)
where:
Base-Base interactions energy: -102.932
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.018
local terms energy: -69.668284
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -8.404
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: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -171.139197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.139197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.139197 (E_RNA)
where:
Base-Base interactions energy: -101.921
where: short stacking energy: -55.878
Base-Backbone interact. energy: 0.174
local terms energy: -69.392798
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -13.313
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: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -171.846309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.846309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.846309 (E_RNA)
where:
Base-Base interactions energy: -102.205
where: short stacking energy: -50.372
Base-Backbone interact. energy: 0.146
local terms energy: -69.787517
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -176.320780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.320780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.320780 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -56.512
Base-Backbone interact. energy: 1.764
local terms energy: -64.424239
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -144.602361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.602361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.602361 (E_RNA)
where:
Base-Base interactions energy: -82.287
where: short stacking energy: -53.919
Base-Backbone interact. energy: 0.095
local terms energy: -62.410671
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -97.283805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.283805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.283805 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.211
local terms energy: -64.884663
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.528
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: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -96.822455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.822455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.822455 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.174
local terms energy: -56.215438
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -3.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -89.592777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.592777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.592777 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -34.550
Base-Backbone interact. energy: -0.164
local terms energy: -52.351004
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -77.626234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.626234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.626234 (E_RNA)
where:
Base-Base interactions energy: -19.675
where: short stacking energy: -19.675
Base-Backbone interact. energy: -0.001
local terms energy: -57.950778
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -5.514
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -221.226267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.226267 (E_RNA)
where:
Base-Base interactions energy: -133.867
where: short stacking energy: -78.561
Base-Backbone interact. energy: -0.006
local terms energy: -87.352915
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -172.855694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.855694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.855694 (E_RNA)
where:
Base-Base interactions energy: -101.382
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.107
local terms energy: -71.366411
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -12.265
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -175.122172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.122172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.122172 (E_RNA)
where:
Base-Base interactions energy: -98.523
where: short stacking energy: -60.201
Base-Backbone interact. energy: -0.028
local terms energy: -76.571105
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -174.723549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.723549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.723549 (E_RNA)
where:
Base-Base interactions energy: -100.003
where: short stacking energy: -58.223
Base-Backbone interact. energy: 0.769
local terms energy: -75.489593
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -8.006
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -180.572418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.572418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.572418 (E_RNA)
where:
Base-Base interactions energy: -115.490
where: short stacking energy: -64.391
Base-Backbone interact. energy: 1.172
local terms energy: -66.254142
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -132.622755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.622755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.622755 (E_RNA)
where:
Base-Base interactions energy: -67.643
where: short stacking energy: -41.685
Base-Backbone interact. energy: -0.157
local terms energy: -64.823490
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -12.545
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: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -90.023117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.023117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.023117 (E_RNA)
where:
Base-Base interactions energy: -38.190
where: short stacking energy: -20.648
Base-Backbone interact. energy: -0.610
local terms energy: -51.223833
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.538
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: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -79.265741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.265741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.265741 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.327
local terms energy: -47.099752
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -80.271944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.271944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.271944 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.167
local terms energy: -51.360434
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -108.090913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.090913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.090913 (E_RNA)
where:
Base-Base interactions energy: -59.508
where: short stacking energy: -22.320
Base-Backbone interact. energy: -0.805
local terms energy: -47.777935
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -220.264102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.264102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.264102 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.002
local terms energy: -78.585481
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -190.409295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.409295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.409295 (E_RNA)
where:
Base-Base interactions energy: -111.996
where: short stacking energy: -71.343
Base-Backbone interact. energy: -0.001
local terms energy: -78.412895
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -166.359604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.359604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.359604 (E_RNA)
where:
Base-Base interactions energy: -95.840
where: short stacking energy: -55.676
Base-Backbone interact. energy: 0.556
local terms energy: -71.075928
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -15.047
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: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -198.128682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.128682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.128682 (E_RNA)
where:
Base-Base interactions energy: -120.585
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.689
local terms energy: -76.855468
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -155.297303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.297303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.297303 (E_RNA)
where:
Base-Base interactions energy: -94.543
where: short stacking energy: -48.227
Base-Backbone interact. energy: -0.100
local terms energy: -60.654652
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -153.118628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.118628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.118628 (E_RNA)
where:
Base-Base interactions energy: -86.878
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.143
local terms energy: -66.097894
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -103.787523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.787523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.787523 (E_RNA)
where:
Base-Base interactions energy: -48.821
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.322
local terms energy: -54.644693
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -84.608993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.608993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.608993 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -17.800
Base-Backbone interact. energy: -0.137
local terms energy: -53.279244
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -81.787846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.787846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.787846 (E_RNA)
where:
Base-Base interactions energy: -35.942
where: short stacking energy: -35.154
Base-Backbone interact. energy: -0.240
local terms energy: -45.606210
where:
bonds (distance) C4'-P energy: -7.822
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -100.252460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.252460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.252460 (E_RNA)
where:
Base-Base interactions energy: -50.268
where: short stacking energy: -23.387
Base-Backbone interact. energy: -0.044
local terms energy: -49.940449
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -215.583412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.583412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.583412 (E_RNA)
where:
Base-Base interactions energy: -134.333
where: short stacking energy: -78.814
Base-Backbone interact. energy: -0.003
local terms energy: -81.247888
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -190.453852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453852 (E_RNA)
where:
Base-Base interactions energy: -116.547
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.450
local terms energy: -73.457087
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -209.961312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.961312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.961312 (E_RNA)
where:
Base-Base interactions energy: -135.333
where: short stacking energy: -71.389
Base-Backbone interact. energy: -0.571
local terms energy: -74.057041
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -13.886
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: 68
Temperature: 1.050000
Total energy: -162.850191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.850191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.850191 (E_RNA)
where:
Base-Base interactions energy: -94.136
where: short stacking energy: -46.908
Base-Backbone interact. energy: 0.107
local terms energy: -68.822122
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -14.003
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: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -166.737662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.737662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.737662 (E_RNA)
where:
Base-Base interactions energy: -103.629
where: short stacking energy: -55.465
Base-Backbone interact. energy: -0.030
local terms energy: -63.077780
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -160.404086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.404086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.404086 (E_RNA)
where:
Base-Base interactions energy: -99.139
where: short stacking energy: -51.625
Base-Backbone interact. energy: -0.153
local terms energy: -61.112833
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -7.584
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: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -149.396090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.396090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.396090 (E_RNA)
where:
Base-Base interactions energy: -84.392
where: short stacking energy: -36.146
Base-Backbone interact. energy: -0.554
local terms energy: -64.449933
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -8.294
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: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -99.979120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.979120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.979120 (E_RNA)
where:
Base-Base interactions energy: -46.801
where: short stacking energy: -40.109
Base-Backbone interact. energy: -0.127
local terms energy: -53.050484
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.306
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: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -133.055053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.055053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.055053 (E_RNA)
where:
Base-Base interactions energy: -76.327
where: short stacking energy: -44.172
Base-Backbone interact. energy: -0.132
local terms energy: -56.596358
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -77.584295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.584295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.584295 (E_RNA)
where:
Base-Base interactions energy: -34.133
where: short stacking energy: -34.133
Base-Backbone interact. energy: -0.032
local terms energy: -43.419488
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -6.551
flat angles P-C4'-P energy: -8.716
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: 69
Temperature: 0.900000
Total energy: -221.223957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.223957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.223957 (E_RNA)
where:
Base-Base interactions energy: -134.155
where: short stacking energy: -80.268
Base-Backbone interact. energy: -0.883
local terms energy: -86.185808
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.202
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: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -208.845467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.845467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.845467 (E_RNA)
where:
Base-Base interactions energy: -135.052
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.005
local terms energy: -73.788018
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -186.966192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.966192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.966192 (E_RNA)
where:
Base-Base interactions energy: -105.488
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.000
local terms energy: -81.478286
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -160.780816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.780816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.780816 (E_RNA)
where:
Base-Base interactions energy: -94.818
where: short stacking energy: -49.387
Base-Backbone interact. energy: -0.802
local terms energy: -65.161054
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.777
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: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -162.984280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.984280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.984280 (E_RNA)
where:
Base-Base interactions energy: -95.051
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.003
local terms energy: -67.930731
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -7.305
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: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -151.588032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.588032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.588032 (E_RNA)
where:
Base-Base interactions energy: -93.796
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.010
local terms energy: -57.781905
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -10.813
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: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -115.726351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.726351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.726351 (E_RNA)
where:
Base-Base interactions energy: -66.311
where: short stacking energy: -33.014
Base-Backbone interact. energy: -0.129
local terms energy: -49.286167
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -7.570
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -4.248
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: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -136.067500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.067500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.067500 (E_RNA)
where:
Base-Base interactions energy: -74.587
where: short stacking energy: -43.682
Base-Backbone interact. energy: 1.174
local terms energy: -62.654675
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -6.671
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: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -89.137435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137435 (E_RNA)
where:
Base-Base interactions energy: -40.450
where: short stacking energy: -34.140
Base-Backbone interact. energy: -0.385
local terms energy: -48.301660
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -97.695494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.695494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.695494 (E_RNA)
where:
Base-Base interactions energy: -35.895
where: short stacking energy: -33.236
Base-Backbone interact. energy: -0.204
local terms energy: -61.596623
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -9.335
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: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -221.415942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.415942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.415942 (E_RNA)
where:
Base-Base interactions energy: -138.209
where: short stacking energy: -84.523
Base-Backbone interact. energy: -0.162
local terms energy: -83.044912
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -210.121318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.121318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.121318 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -72.761
Base-Backbone interact. energy: -0.240
local terms energy: -73.111644
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -18.333
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -192.287477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.287477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287477 (E_RNA)
where:
Base-Base interactions energy: -110.124
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.012
local terms energy: -82.151838
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -161.571774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.571774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.571774 (E_RNA)
where:
Base-Base interactions energy: -91.847
where: short stacking energy: -50.175
Base-Backbone interact. energy: -0.359
local terms energy: -69.365654
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -168.586175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.586175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.586175 (E_RNA)
where:
Base-Base interactions energy: -106.879
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.158
local terms energy: -61.548931
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -16.554
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -149.095511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.095511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.095511 (E_RNA)
where:
Base-Base interactions energy: -85.967
where: short stacking energy: -46.595
Base-Backbone interact. energy: 1.824
local terms energy: -64.952481
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -11.049
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: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -154.744766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.744766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.744766 (E_RNA)
where:
Base-Base interactions energy: -82.932
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.263
local terms energy: -71.549319
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -12.258
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: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -90.627004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627004 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.368
local terms energy: -60.524686
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -98.348618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.348618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.348618 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.322
local terms energy: -60.346045
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -86.709652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.709652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.709652 (E_RNA)
where:
Base-Base interactions energy: -28.513
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.042
local terms energy: -58.155192
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -9.094
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: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -219.689640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.689640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.689640 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -84.340
Base-Backbone interact. energy: -0.051
local terms energy: -86.014342
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -197.456580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.456580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.456580 (E_RNA)
where:
Base-Base interactions energy: -118.005
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.099
local terms energy: -79.352834
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -192.524844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.524844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.524844 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.114
local terms energy: -76.358038
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -18.739
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: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -159.996415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.996415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.996415 (E_RNA)
where:
Base-Base interactions energy: -89.763
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.098
local terms energy: -70.135040
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -159.273699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.273699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.273699 (E_RNA)
where:
Base-Base interactions energy: -90.999
where: short stacking energy: -52.019
Base-Backbone interact. energy: 1.077
local terms energy: -69.351967
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -162.793320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.793320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.793320 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.822
local terms energy: -62.642968
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -151.776698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.776698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.776698 (E_RNA)
where:
Base-Base interactions energy: -92.604
where: short stacking energy: -52.293
Base-Backbone interact. energy: -0.112
local terms energy: -59.060091
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -100.194834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.194834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.194834 (E_RNA)
where:
Base-Base interactions energy: -50.935
where: short stacking energy: -25.107
Base-Backbone interact. energy: -0.072
local terms energy: -49.187796
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -99.843545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.843545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.843545 (E_RNA)
where:
Base-Base interactions energy: -50.003
where: short stacking energy: -35.292
Base-Backbone interact. energy: 0.957
local terms energy: -50.797427
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -4.464
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: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -80.908291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908291 (E_RNA)
where:
Base-Base interactions energy: -35.651
where: short stacking energy: -22.524
Base-Backbone interact. energy: -0.078
local terms energy: -45.179214
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -0.048
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -219.888071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.888071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.888071 (E_RNA)
where:
Base-Base interactions energy: -134.744
where: short stacking energy: -81.523
Base-Backbone interact. energy: -2.677
local terms energy: -82.466671
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -209.492601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.492601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.492601 (E_RNA)
where:
Base-Base interactions energy: -127.810
where: short stacking energy: -77.580
Base-Backbone interact. energy: -0.002
local terms energy: -81.680615
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -186.221020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.221020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.221020 (E_RNA)
where:
Base-Base interactions energy: -107.846
where: short stacking energy: -58.723
Base-Backbone interact. energy: 0.882
local terms energy: -79.257510
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -180.522707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.522707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.522707 (E_RNA)
where:
Base-Base interactions energy: -111.904
where: short stacking energy: -54.166
Base-Backbone interact. energy: -0.171
local terms energy: -68.447310
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -11.930
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: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -171.133306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.133306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.133306 (E_RNA)
where:
Base-Base interactions energy: -101.985
where: short stacking energy: -60.116
Base-Backbone interact. energy: -0.102
local terms energy: -69.046638
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -11.509
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: 6, replica: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -152.200099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.200099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.200099 (E_RNA)
where:
Base-Base interactions energy: -98.471
where: short stacking energy: -41.641
Base-Backbone interact. energy: -0.254
local terms energy: -53.475031
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -7.585
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: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -132.523305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.523305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.523305 (E_RNA)
where:
Base-Base interactions energy: -76.238
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.248
local terms energy: -56.037083
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -152.900293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.900293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.900293 (E_RNA)
where:
Base-Base interactions energy: -86.266
where: short stacking energy: -43.074
Base-Backbone interact. energy: -0.089
local terms energy: -66.545674
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -96.236075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.236075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.236075 (E_RNA)
where:
Base-Base interactions energy: -39.144
where: short stacking energy: -26.630
Base-Backbone interact. energy: -0.231
local terms energy: -56.861178
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -91.389554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.389554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.389554 (E_RNA)
where:
Base-Base interactions energy: -43.936
where: short stacking energy: -31.968
Base-Backbone interact. energy: -0.122
local terms energy: -47.331545
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -6.769
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: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -211.394791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.394791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.394791 (E_RNA)
where:
Base-Base interactions energy: -130.958
where: short stacking energy: -77.896
Base-Backbone interact. energy: -0.006
local terms energy: -80.431359
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -179.921078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.921078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.921078 (E_RNA)
where:
Base-Base interactions energy: -105.751
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.713
local terms energy: -73.457290
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.031
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: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -193.864336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864336 (E_RNA)
where:
Base-Base interactions energy: -119.473
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.167
local terms energy: -74.224297
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -22.093
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: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -176.643731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.643731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.643731 (E_RNA)
where:
Base-Base interactions energy: -103.058
where: short stacking energy: -57.891
Base-Backbone interact. energy: -0.073
local terms energy: -73.512553
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -12.423
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: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -176.349651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.349651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.349651 (E_RNA)
where:
Base-Base interactions energy: -110.921
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.069
local terms energy: -65.360008
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -168.611773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.611773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.611773 (E_RNA)
where:
Base-Base interactions energy: -106.683
where: short stacking energy: -39.616
Base-Backbone interact. energy: -1.334
local terms energy: -60.595281
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -132.537159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.537159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.537159 (E_RNA)
where:
Base-Base interactions energy: -77.772
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.161
local terms energy: -54.604823
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -99.902029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.902029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.902029 (E_RNA)
where:
Base-Base interactions energy: -44.372
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.104
local terms energy: -55.426628
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -3.772
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: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -88.401475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401475 (E_RNA)
where:
Base-Base interactions energy: -32.158
where: short stacking energy: -26.518
Base-Backbone interact. energy: 0.707
local terms energy: -56.950537
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -80.892609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.892609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.892609 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.304
local terms energy: -55.173410
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: 1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -209.305109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.305109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.305109 (E_RNA)
where:
Base-Base interactions energy: -125.812
where: short stacking energy: -72.187
Base-Backbone interact. energy: -0.063
local terms energy: -83.430127
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -185.192092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.192092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192092 (E_RNA)
where:
Base-Base interactions energy: -108.137
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.174
local terms energy: -76.881512
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -193.416010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.416010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.416010 (E_RNA)
where:
Base-Base interactions energy: -120.414
where: short stacking energy: -67.515
Base-Backbone interact. energy: -0.001
local terms energy: -73.001800
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.716
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: 74
Temperature: 1.050000
Total energy: -173.418883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.418883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.418883 (E_RNA)
where:
Base-Base interactions energy: -95.044
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.035
local terms energy: -78.339849
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -153.683282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.683282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.683282 (E_RNA)
where:
Base-Base interactions energy: -93.905
where: short stacking energy: -46.115
Base-Backbone interact. energy: -0.037
local terms energy: -59.740956
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -10.054
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: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -151.774920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.774920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.774920 (E_RNA)
where:
Base-Base interactions energy: -87.647
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.367
local terms energy: -63.761077
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -89.659694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.659694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.659694 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -38.066
Base-Backbone interact. energy: -0.209
local terms energy: -51.384955
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -7.041
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: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -123.028078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.028078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.028078 (E_RNA)
where:
Base-Base interactions energy: -68.222
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.067
local terms energy: -54.738991
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -4.564
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: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -84.042126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042126 (E_RNA)
where:
Base-Base interactions energy: -25.747
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.142
local terms energy: -58.152946
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -2.251
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: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -74.413927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.413927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.413927 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -19.836
Base-Backbone interact. energy: -0.140
local terms energy: -51.893936
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -7.071
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: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -227.667633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.667633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.667633 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.001
local terms energy: -88.052736
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -21.229
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: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -200.379361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.379361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.379361 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -73.268
Base-Backbone interact. energy: -0.027
local terms energy: -74.413691
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -184.342879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.342879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.342879 (E_RNA)
where:
Base-Base interactions energy: -112.576
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.020
local terms energy: -71.746706
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -14.751
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: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -175.561241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.561241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.561241 (E_RNA)
where:
Base-Base interactions energy: -103.807
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.043
local terms energy: -71.711742
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -13.391
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: 75
Temperature: 1.100000
Total energy: -172.394819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.394819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.394819 (E_RNA)
where:
Base-Base interactions energy: -98.023
where: short stacking energy: -48.143
Base-Backbone interact. energy: -0.447
local terms energy: -73.925543
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.035
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: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -151.162384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.162384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.162384 (E_RNA)
where:
Base-Base interactions energy: -93.030
where: short stacking energy: -43.091
Base-Backbone interact. energy: -0.772
local terms energy: -57.360182
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -103.719666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.719666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.719666 (E_RNA)
where:
Base-Base interactions energy: -39.184
where: short stacking energy: -38.642
Base-Backbone interact. energy: 1.634
local terms energy: -66.170291
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.144
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: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -84.895319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.895319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.895319 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -27.049
Base-Backbone interact. energy: -0.256
local terms energy: -53.640402
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -80.056880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.056880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.056880 (E_RNA)
where:
Base-Base interactions energy: -21.191
where: short stacking energy: -21.191
Base-Backbone interact. energy: -0.183
local terms energy: -58.682808
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -79.369209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.369209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.369209 (E_RNA)
where:
Base-Base interactions energy: -25.061
where: short stacking energy: -23.530
Base-Backbone interact. energy: -0.881
local terms energy: -53.426811
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -4.846
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: 76
Temperature: 0.900000
Total energy: -208.267095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.267095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.267095 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.164
local terms energy: -75.229448
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -11.208
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -196.316668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.316668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.316668 (E_RNA)
where:
Base-Base interactions energy: -124.182
where: short stacking energy: -65.190
Base-Backbone interact. energy: -0.035
local terms energy: -72.099189
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -183.478813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.478813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.478813 (E_RNA)
where:
Base-Base interactions energy: -112.714
where: short stacking energy: -61.348
Base-Backbone interact. energy: -0.009
local terms energy: -70.756316
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -15.286
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -187.804218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.804218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.804218 (E_RNA)
where:
Base-Base interactions energy: -117.422
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.042
local terms energy: -70.339840
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -171.893920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.893920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.893920 (E_RNA)
where:
Base-Base interactions energy: -101.104
where: short stacking energy: -50.722
Base-Backbone interact. energy: 6.531
local terms energy: -77.320512
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -149.099515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.099515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.099515 (E_RNA)
where:
Base-Base interactions energy: -81.505
where: short stacking energy: -49.090
Base-Backbone interact. energy: 0.538
local terms energy: -68.132475
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -124.007699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.007699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.007699 (E_RNA)
where:
Base-Base interactions energy: -67.529
where: short stacking energy: -48.317
Base-Backbone interact. energy: -0.278
local terms energy: -56.200979
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -86.841677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.841677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.841677 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.119
local terms energy: -49.146128
where:
bonds (distance) C4'-P energy: -8.122
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -7.317
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: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -81.951859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.951859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.951859 (E_RNA)
where:
Base-Base interactions energy: -31.300
where: short stacking energy: -20.736
Base-Backbone interact. energy: -0.233
local terms energy: -50.418555
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -80.121155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.121155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.121155 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.007
local terms energy: -47.628018
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -206.653252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.653252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653252 (E_RNA)
where:
Base-Base interactions energy: -131.439
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.156
local terms energy: -75.058548
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -11.455
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: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -202.345989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.345989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.345989 (E_RNA)
where:
Base-Base interactions energy: -128.616
where: short stacking energy: -65.532
Base-Backbone interact. energy: 1.015
local terms energy: -74.745490
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -8.208
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: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -176.794486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.794486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.794486 (E_RNA)
where:
Base-Base interactions energy: -104.071
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.415
local terms energy: -72.307928
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -188.222568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.222568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.222568 (E_RNA)
where:
Base-Base interactions energy: -123.091
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.175
local terms energy: -64.957135
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -157.258572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.258572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.258572 (E_RNA)
where:
Base-Base interactions energy: -97.461
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.071
local terms energy: -59.726278
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -12.124
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: 77
Temperature: 1.150000
Total energy: -159.381405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.381405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.381405 (E_RNA)
where:
Base-Base interactions energy: -88.566
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.250
local terms energy: -70.565338
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -11.175
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: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -108.440483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.440483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.440483 (E_RNA)
where:
Base-Base interactions energy: -59.182
where: short stacking energy: -32.778
Base-Backbone interact. energy: -0.262
local terms energy: -48.997072
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -89.849001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849001 (E_RNA)
where:
Base-Base interactions energy: -35.948
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.036
local terms energy: -53.865469
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -84.001851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.001851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.001851 (E_RNA)
where:
Base-Base interactions energy: -27.686
where: short stacking energy: -27.686
Base-Backbone interact. energy: -0.140
local terms energy: -56.175760
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -78.718241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.718241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.718241 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -25.153
Base-Backbone interact. energy: -0.205
local terms energy: -53.359624
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -7.259
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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -202.739242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.739242 (E_RNA)
where:
Base-Base interactions energy: -122.935
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.006
local terms energy: -79.798118
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -193.715249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.715249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.715249 (E_RNA)
where:
Base-Base interactions energy: -123.721
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.054
local terms energy: -69.939441
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -176.522039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.522039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.522039 (E_RNA)
where:
Base-Base interactions energy: -106.119
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.110
local terms energy: -70.293697
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -13.085
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -173.787090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.787090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.787090 (E_RNA)
where:
Base-Base interactions energy: -101.987
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.165
local terms energy: -71.635354
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -168.363903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.363903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.363903 (E_RNA)
where:
Base-Base interactions energy: -98.600
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.022
local terms energy: -69.741443
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -157.354179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.354179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.354179 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.241
local terms energy: -57.269687
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -6.469
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -111.383067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.383067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.383067 (E_RNA)
where:
Base-Base interactions energy: -49.003
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.095
local terms energy: -62.285131
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -12.981
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: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -103.476132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.476132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.476132 (E_RNA)
where:
Base-Base interactions energy: -45.228
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.059
local terms energy: -58.188223
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -12.212
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: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -95.397436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397436 (E_RNA)
where:
Base-Base interactions energy: -41.979
where: short stacking energy: -38.097
Base-Backbone interact. energy: -0.037
local terms energy: -53.382206
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -85.585604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.585604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.585604 (E_RNA)
where:
Base-Base interactions energy: -28.486
where: short stacking energy: -28.486
Base-Backbone interact. energy: -0.029
local terms energy: -57.070888
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -212.775084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.775084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.775084 (E_RNA)
where:
Base-Base interactions energy: -133.831
where: short stacking energy: -74.043
Base-Backbone interact. energy: -0.108
local terms energy: -78.835572
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -22.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -188.225216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.225216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.225216 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -65.117
Base-Backbone interact. energy: -0.543
local terms energy: -74.946002
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -180.324765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324765 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -67.781
Base-Backbone interact. energy: 2.290
local terms energy: -67.850556
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -17.865
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: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -169.495633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.495633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.495633 (E_RNA)
where:
Base-Base interactions energy: -98.533
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.200
local terms energy: -70.762259
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -181.522928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.522928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.522928 (E_RNA)
where:
Base-Base interactions energy: -113.224
where: short stacking energy: -66.545
Base-Backbone interact. energy: -0.005
local terms energy: -68.293997
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -16.797
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: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -145.467973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.467973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.467973 (E_RNA)
where:
Base-Base interactions energy: -88.497
where: short stacking energy: -39.574
Base-Backbone interact. energy: -0.243
local terms energy: -56.728280
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -96.916309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.916309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.916309 (E_RNA)
where:
Base-Base interactions energy: -43.624
where: short stacking energy: -35.108
Base-Backbone interact. energy: -0.044
local terms energy: -53.248384
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -107.922879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.922879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.922879 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -41.259
Base-Backbone interact. energy: -0.033
local terms energy: -66.630675
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -90.488223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.488223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.488223 (E_RNA)
where:
Base-Base interactions energy: -34.050
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.063
local terms energy: -56.375335
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -9.189
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: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -72.344965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.344965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.344965 (E_RNA)
where:
Base-Base interactions energy: -26.526
where: short stacking energy: -24.588
Base-Backbone interact. energy: -0.985
local terms energy: -44.834301
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: 2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -210.967463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.967463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.967463 (E_RNA)
where:
Base-Base interactions energy: -136.031
where: short stacking energy: -80.248
Base-Backbone interact. energy: -0.042
local terms energy: -74.894761
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -195.014889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.014889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.014889 (E_RNA)
where:
Base-Base interactions energy: -120.070
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.216
local terms energy: -74.728610
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -189.987143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.987143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.987143 (E_RNA)
where:
Base-Base interactions energy: -111.586
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.005
local terms energy: -78.396435
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -7.179
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: 4, replica: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -171.115065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.115065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.115065 (E_RNA)
where:
Base-Base interactions energy: -99.069
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.371
local terms energy: -71.675598
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -149.031145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.031145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.031145 (E_RNA)
where:
Base-Base interactions energy: -88.679
where: short stacking energy: -43.016
Base-Backbone interact. energy: -1.251
local terms energy: -59.101517
where:
bonds (distance) C4'-P energy: -6.910
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -140.657803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.657803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.657803 (E_RNA)
where:
Base-Base interactions energy: -81.437
where: short stacking energy: -42.899
Base-Backbone interact. energy: -0.161
local terms energy: -59.060402
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -7.451
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -94.667728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.667728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.667728 (E_RNA)
where:
Base-Base interactions energy: -38.667
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.222
local terms energy: -55.778573
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -7.981
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: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -78.905829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.905829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.905829 (E_RNA)
where:
Base-Base interactions energy: -27.913
where: short stacking energy: -28.313
Base-Backbone interact. energy: 1.344
local terms energy: -52.337403
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -7.958
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: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -84.520209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.520209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.520209 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -25.822
Base-Backbone interact. energy: -0.156
local terms energy: -56.379161
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -87.575357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575357 (E_RNA)
where:
Base-Base interactions energy: -35.587
where: short stacking energy: -33.034
Base-Backbone interact. energy: -0.144
local terms energy: -51.844759
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.593
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -207.159712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159712 (E_RNA)
where:
Base-Base interactions energy: -125.779
where: short stacking energy: -70.005
Base-Backbone interact. energy: -0.080
local terms energy: -81.300212
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -210.915597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.915597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.915597 (E_RNA)
where:
Base-Base interactions energy: -130.318
where: short stacking energy: -74.794
Base-Backbone interact. energy: -0.002
local terms energy: -80.595794
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -199.829801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.829801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.829801 (E_RNA)
where:
Base-Base interactions energy: -119.932
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.212
local terms energy: -79.685655
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -178.409639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.409639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.409639 (E_RNA)
where:
Base-Base interactions energy: -102.826
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.118
local terms energy: -75.465999
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -150.841162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.841162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.841162 (E_RNA)
where:
Base-Base interactions energy: -81.487
where: short stacking energy: -49.038
Base-Backbone interact. energy: -0.207
local terms energy: -69.146449
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.113
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: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -141.584727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.584727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.584727 (E_RNA)
where:
Base-Base interactions energy: -73.862
where: short stacking energy: -37.557
Base-Backbone interact. energy: -0.089
local terms energy: -67.633402
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -102.514190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.514190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.514190 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.103
local terms energy: -64.853357
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -7.993
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: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -92.988020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988020 (E_RNA)
where:
Base-Base interactions energy: -39.767
where: short stacking energy: -33.626
Base-Backbone interact. energy: 0.064
local terms energy: -53.285849
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -92.409794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.409794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.409794 (E_RNA)
where:
Base-Base interactions energy: -45.179
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.049
local terms energy: -47.182393
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -88.432080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432080 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.134
local terms energy: -58.091809
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -210.012946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.012946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012946 (E_RNA)
where:
Base-Base interactions energy: -124.797
where: short stacking energy: -74.083
Base-Backbone interact. energy: -0.083
local terms energy: -85.133240
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -209.948113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.948113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.948113 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.053
local terms energy: -80.225555
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -22.710
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: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -199.876697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.876697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.876697 (E_RNA)
where:
Base-Base interactions energy: -125.462
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.385
local terms energy: -74.029963
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -9.038
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: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -166.084135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.084135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.084135 (E_RNA)
where:
Base-Base interactions energy: -88.837
where: short stacking energy: -54.925
Base-Backbone interact. energy: -0.007
local terms energy: -77.240420
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -137.993301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.993301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.993301 (E_RNA)
where:
Base-Base interactions energy: -77.389
where: short stacking energy: -37.824
Base-Backbone interact. energy: 1.596
local terms energy: -62.200354
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -165.507042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.507042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.507042 (E_RNA)
where:
Base-Base interactions energy: -98.274
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.121
local terms energy: -67.112208
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -93.045445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.045445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.045445 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -34.141
Base-Backbone interact. energy: 0.056
local terms energy: -58.960333
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -86.749077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749077 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -24.060
Base-Backbone interact. energy: -0.104
local terms energy: -51.816789
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -94.559117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.559117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.559117 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -34.639
Base-Backbone interact. energy: -0.007
local terms energy: -59.913163
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.183
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: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -93.116800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.116800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.116800 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.292
local terms energy: -53.828588
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -209.151145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.151145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.151145 (E_RNA)
where:
Base-Base interactions energy: -140.889
where: short stacking energy: -75.979
Base-Backbone interact. energy: -0.125
local terms energy: -68.136810
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -215.557598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.557598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.557598 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -83.257
Base-Backbone interact. energy: -0.051
local terms energy: -80.265782
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -25.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -196.173698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.173698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.173698 (E_RNA)
where:
Base-Base interactions energy: -121.875
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.227
local terms energy: -74.071794
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -168.853956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.853956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.853956 (E_RNA)
where:
Base-Base interactions energy: -102.201
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.062
local terms energy: -66.591492
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -96.789063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.789063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.789063 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.138
local terms energy: -58.923191
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -142.369744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.369744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.369744 (E_RNA)
where:
Base-Base interactions energy: -74.872
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.122
local terms energy: -67.375314
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -9.744
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: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -86.275358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.275358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.275358 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -17.472
Base-Backbone interact. energy: -0.065
local terms energy: -49.574164
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: 4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -93.526725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.526725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.526725 (E_RNA)
where:
Base-Base interactions energy: -37.902
where: short stacking energy: -37.902
Base-Backbone interact. energy: -0.307
local terms energy: -55.317673
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -85.983397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.983397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.983397 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -27.072
Base-Backbone interact. energy: -0.173
local terms energy: -55.372909
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -77.244923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.244923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.244923 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -18.916
Base-Backbone interact. energy: 1.702
local terms energy: -43.866746
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -7.083
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -221.560291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.560291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.560291 (E_RNA)
where:
Base-Base interactions energy: -134.278
where: short stacking energy: -74.673
Base-Backbone interact. energy: -0.019
local terms energy: -87.263698
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -23.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -194.227275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.227275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.227275 (E_RNA)
where:
Base-Base interactions energy: -120.563
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.064
local terms energy: -73.600022
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -7.393
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: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -173.469278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.469278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.469278 (E_RNA)
where:
Base-Base interactions energy: -100.689
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.249
local terms energy: -72.531131
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -11.733
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: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -178.407427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.407427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.407427 (E_RNA)
where:
Base-Base interactions energy: -112.048
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.131
local terms energy: -66.229026
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -168.940859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.940859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.940859 (E_RNA)
where:
Base-Base interactions energy: -101.669
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.001
local terms energy: -67.270379
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -129.989605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.989605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.989605 (E_RNA)
where:
Base-Base interactions energy: -71.162
where: short stacking energy: -52.970
Base-Backbone interact. energy: -0.060
local terms energy: -58.767393
where:
bonds (distance) C4'-P energy: -5.091
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -98.129501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129501 (E_RNA)
where:
Base-Base interactions energy: -39.727
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.149
local terms energy: -58.253797
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -89.946807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.946807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.946807 (E_RNA)
where:
Base-Base interactions energy: -36.998
where: short stacking energy: -36.998
Base-Backbone interact. energy: 0.044
local terms energy: -52.993106
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -3.848
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: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -107.989697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.989697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.989697 (E_RNA)
where:
Base-Base interactions energy: -60.565
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.256
local terms energy: -47.169026
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -0.833
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: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -77.752670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.752670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.752670 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -34.505
Base-Backbone interact. energy: 1.038
local terms energy: -44.285354
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -3.607
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: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -226.266878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.266878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.266878 (E_RNA)
where:
Base-Base interactions energy: -136.272
where: short stacking energy: -83.707
Base-Backbone interact. energy: -0.028
local terms energy: -89.966333
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -25.700
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -187.678158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.678158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.678158 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.364
local terms energy: -76.521465
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -192.987228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.987228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.987228 (E_RNA)
where:
Base-Base interactions energy: -112.144
where: short stacking energy: -66.610
Base-Backbone interact. energy: -0.001
local terms energy: -80.842805
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -185.553643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.553643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.553643 (E_RNA)
where:
Base-Base interactions energy: -110.098
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.002
local terms energy: -75.454018
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -162.087074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.087074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.087074 (E_RNA)
where:
Base-Base interactions energy: -97.801
where: short stacking energy: -57.026
Base-Backbone interact. energy: -0.021
local terms energy: -64.265590
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -105.606741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.606741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.606741 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.181
local terms energy: -58.620378
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -146.769688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.769688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.769688 (E_RNA)
where:
Base-Base interactions energy: -83.000
where: short stacking energy: -40.995
Base-Backbone interact. energy: -0.268
local terms energy: -63.501405
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -12.199
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: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -96.636611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.636611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.636611 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -25.247
Base-Backbone interact. energy: -0.226
local terms energy: -54.830738
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -81.345584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.345584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.345584 (E_RNA)
where:
Base-Base interactions energy: -43.261
where: short stacking energy: -22.238
Base-Backbone interact. energy: -0.303
local terms energy: -37.781089
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -83.099932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.099932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.099932 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -24.865
Base-Backbone interact. energy: -0.161
local terms energy: -54.075911
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -6.782
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: 86
Temperature: 0.900000
Total energy: -221.749142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.749142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.749142 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -77.096
Base-Backbone interact. energy: -0.003
local terms energy: -84.036411
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -12.838
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: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -200.138380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.138380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.138380 (E_RNA)
where:
Base-Base interactions energy: -121.435
where: short stacking energy: -75.113
Base-Backbone interact. energy: -0.008
local terms energy: -78.695607
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -19.747
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: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -195.903280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.903280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.903280 (E_RNA)
where:
Base-Base interactions energy: -125.323
where: short stacking energy: -66.731
Base-Backbone interact. energy: -0.009
local terms energy: -70.571091
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -188.424508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.424508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.424508 (E_RNA)
where:
Base-Base interactions energy: -113.822
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.131
local terms energy: -74.471042
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -166.212822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.212822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.212822 (E_RNA)
where:
Base-Base interactions energy: -98.469
where: short stacking energy: -54.083
Base-Backbone interact. energy: 0.822
local terms energy: -68.565528
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -106.637977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.637977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.637977 (E_RNA)
where:
Base-Base interactions energy: -41.918
where: short stacking energy: -31.191
Base-Backbone interact. energy: -0.236
local terms energy: -64.484148
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -159.983484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.983484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.983484 (E_RNA)
where:
Base-Base interactions energy: -94.608
where: short stacking energy: -49.378
Base-Backbone interact. energy: -0.755
local terms energy: -64.620516
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -92.204749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.204749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.204749 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -37.043
Base-Backbone interact. energy: -0.268
local terms energy: -54.894378
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -87.524878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524878 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -32.996
Base-Backbone interact. energy: -0.154
local terms energy: -54.058576
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -87.480341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.480341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.480341 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -28.871
Base-Backbone interact. energy: -0.141
local terms energy: -56.326265
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -220.460275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.460275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.460275 (E_RNA)
where:
Base-Base interactions energy: -135.461
where: short stacking energy: -74.352
Base-Backbone interact. energy: -0.008
local terms energy: -84.991808
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -192.852091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.852091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.852091 (E_RNA)
where:
Base-Base interactions energy: -119.838
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.082
local terms energy: -72.931641
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -21.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -184.926510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.926510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.926510 (E_RNA)
where:
Base-Base interactions energy: -111.473
where: short stacking energy: -56.813
Base-Backbone interact. energy: 0.123
local terms energy: -73.575676
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -174.669449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.669449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.669449 (E_RNA)
where:
Base-Base interactions energy: -111.393
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.074
local terms energy: -63.202502
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -172.542529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.542529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.542529 (E_RNA)
where:
Base-Base interactions energy: -98.878
where: short stacking energy: -60.348
Base-Backbone interact. energy: -0.012
local terms energy: -73.653164
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -157.036222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.036222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.036222 (E_RNA)
where:
Base-Base interactions energy: -91.945
where: short stacking energy: -46.954
Base-Backbone interact. energy: -0.103
local terms energy: -64.988078
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -106.308189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.308189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.308189 (E_RNA)
where:
Base-Base interactions energy: -46.709
where: short stacking energy: -42.518
Base-Backbone interact. energy: -1.087
local terms energy: -58.511993
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -5.710
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: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -100.021699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.021699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.021699 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -37.488
Base-Backbone interact. energy: -0.029
local terms energy: -62.044952
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -82.438813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.438813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.438813 (E_RNA)
where:
Base-Base interactions energy: -25.987
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.244
local terms energy: -56.207214
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -88.279163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.279163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.279163 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -33.834
Base-Backbone interact. energy: 0.055
local terms energy: -49.770216
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -212.587423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587423 (E_RNA)
where:
Base-Base interactions energy: -127.793
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.002
local terms energy: -84.792083
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -191.941908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.941908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.941908 (E_RNA)
where:
Base-Base interactions energy: -115.161
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.015
local terms energy: -76.765929
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -188.619355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.619355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.619355 (E_RNA)
where:
Base-Base interactions energy: -117.901
where: short stacking energy: -65.352
Base-Backbone interact. energy: -0.056
local terms energy: -70.663134
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -180.774003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774003 (E_RNA)
where:
Base-Base interactions energy: -110.165
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.124
local terms energy: -70.484846
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -19.575
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: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -174.509216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.509216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.509216 (E_RNA)
where:
Base-Base interactions energy: -100.627
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.412
local terms energy: -73.470388
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -162.956289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.956289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.956289 (E_RNA)
where:
Base-Base interactions energy: -104.055
where: short stacking energy: -58.900
Base-Backbone interact. energy: -0.030
local terms energy: -58.871065
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -14.344
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -115.536683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.536683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.536683 (E_RNA)
where:
Base-Base interactions energy: -57.451
where: short stacking energy: -57.451
Base-Backbone interact. energy: 0.672
local terms energy: -58.757196
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -96.388697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.388697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.388697 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.031
local terms energy: -61.089887
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -5.714
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: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -82.167938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.167938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.167938 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -27.454
Base-Backbone interact. energy: -0.180
local terms energy: -49.074460
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.381136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.381136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.381136 (E_RNA)
where:
Base-Base interactions energy: -23.654
where: short stacking energy: -23.654
Base-Backbone interact. energy: -0.102
local terms energy: -56.624983
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -211.357136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.357136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.357136 (E_RNA)
where:
Base-Base interactions energy: -125.636
where: short stacking energy: -74.545
Base-Backbone interact. energy: -0.012
local terms energy: -85.709062
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -195.442033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.442033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.442033 (E_RNA)
where:
Base-Base interactions energy: -115.796
where: short stacking energy: -63.616
Base-Backbone interact. energy: -0.112
local terms energy: -79.534387
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -12.550
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: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -199.694334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.694334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.694334 (E_RNA)
where:
Base-Base interactions energy: -118.616
where: short stacking energy: -79.756
Base-Backbone interact. energy: -0.026
local terms energy: -81.052622
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -13.484
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: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -180.828027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.828027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.828027 (E_RNA)
where:
Base-Base interactions energy: -107.451
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.226
local terms energy: -73.150505
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -182.290175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.290175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.290175 (E_RNA)
where:
Base-Base interactions energy: -109.153
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.120
local terms energy: -73.017042
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -114.430794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.430794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.430794 (E_RNA)
where:
Base-Base interactions energy: -60.485
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.015
local terms energy: -53.931189
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -135.804544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.804544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.804544 (E_RNA)
where:
Base-Base interactions energy: -75.589
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.062
local terms energy: -60.153198
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -10.430
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: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -88.576467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.576467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.576467 (E_RNA)
where:
Base-Base interactions energy: -30.421
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.206
local terms energy: -57.948791
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -92.213213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.213213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.213213 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -34.430
Base-Backbone interact. energy: -0.402
local terms energy: -57.481076
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -82.191137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.191137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.191137 (E_RNA)
where:
Base-Base interactions energy: -30.978
where: short stacking energy: -29.772
Base-Backbone interact. energy: -0.173
local terms energy: -51.040237
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -199.017388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.017388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.017388 (E_RNA)
where:
Base-Base interactions energy: -117.832
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.031
local terms energy: -81.154439
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -202.376731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.376731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.376731 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.006
local terms energy: -79.963632
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -180.150952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.150952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.150952 (E_RNA)
where:
Base-Base interactions energy: -106.547
where: short stacking energy: -60.476
Base-Backbone interact. energy: 0.325
local terms energy: -73.928392
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -171.426811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.426811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.426811 (E_RNA)
where:
Base-Base interactions energy: -97.820
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.097
local terms energy: -73.510082
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -181.369899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.369899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.369899 (E_RNA)
where:
Base-Base interactions energy: -118.576
where: short stacking energy: -58.719
Base-Backbone interact. energy: -0.097
local terms energy: -62.696576
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -104.965758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.965758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.965758 (E_RNA)
where:
Base-Base interactions energy: -47.488
where: short stacking energy: -39.096
Base-Backbone interact. energy: -0.310
local terms energy: -57.167304
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -155.237284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.237284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.237284 (E_RNA)
where:
Base-Base interactions energy: -84.632
where: short stacking energy: -44.644
Base-Backbone interact. energy: -0.178
local terms energy: -70.428172
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -102.938257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.938257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.938257 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.015
local terms energy: -58.159483
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -10.096
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: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -94.912180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.912180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.912180 (E_RNA)
where:
Base-Base interactions energy: -44.044
where: short stacking energy: -21.928
Base-Backbone interact. energy: 1.017
local terms energy: -51.885139
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -83.258628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.258628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.258628 (E_RNA)
where:
Base-Base interactions energy: -34.806
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.262
local terms energy: -48.190935
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -192.649926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.649926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.649926 (E_RNA)
where:
Base-Base interactions energy: -114.140
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.002
local terms energy: -78.508204
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -212.513614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.513614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.513614 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -77.431
Base-Backbone interact. energy: -0.003
local terms energy: -75.403457
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -182.888484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888484 (E_RNA)
where:
Base-Base interactions energy: -110.386
where: short stacking energy: -49.395
Base-Backbone interact. energy: -0.041
local terms energy: -72.461886
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -180.868354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.868354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.868354 (E_RNA)
where:
Base-Base interactions energy: -100.637
where: short stacking energy: -63.401
Base-Backbone interact. energy: 0.140
local terms energy: -80.371123
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -18.910
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: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -168.876283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.876283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.876283 (E_RNA)
where:
Base-Base interactions energy: -113.302
where: short stacking energy: -68.316
Base-Backbone interact. energy: -0.057
local terms energy: -55.517158
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -145.266216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.266216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.266216 (E_RNA)
where:
Base-Base interactions energy: -84.076
where: short stacking energy: -39.071
Base-Backbone interact. energy: -0.162
local terms energy: -61.028051
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -89.765141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.765141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.765141 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -30.869
Base-Backbone interact. energy: 0.958
local terms energy: -59.953956
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.445
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: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -90.884387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.884387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.884387 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -35.163
Base-Backbone interact. energy: 0.413
local terms energy: -52.496152
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -87.242305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.242305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.242305 (E_RNA)
where:
Base-Base interactions energy: -28.806
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.413
local terms energy: -58.023238
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -81.058721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.058721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.058721 (E_RNA)
where:
Base-Base interactions energy: -27.807
where: short stacking energy: -19.581
Base-Backbone interact. energy: 0.026
local terms energy: -53.278395
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -204.893671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893671 (E_RNA)
where:
Base-Base interactions energy: -121.310
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.223
local terms energy: -83.360594
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -22.280
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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -192.677223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.677223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.677223 (E_RNA)
where:
Base-Base interactions energy: -121.473
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.796
local terms energy: -70.407680
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -182.658874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.658874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.658874 (E_RNA)
where:
Base-Base interactions energy: -114.257
where: short stacking energy: -61.996
Base-Backbone interact. energy: -0.190
local terms energy: -68.211556
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -183.712506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.712506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.712506 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -66.000
Base-Backbone interact. energy: -0.020
local terms energy: -75.898299
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -185.590150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.590150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.590150 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.085
local terms energy: -67.144272
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -4.412
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: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -164.502717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.502717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.502717 (E_RNA)
where:
Base-Base interactions energy: -100.545
where: short stacking energy: -47.524
Base-Backbone interact. energy: -0.075
local terms energy: -63.882009
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -99.515504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.515504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.515504 (E_RNA)
where:
Base-Base interactions energy: -35.099
where: short stacking energy: -35.099
Base-Backbone interact. energy: -0.004
local terms energy: -64.411782
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.483035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.483035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.483035 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -25.054
Base-Backbone interact. energy: -0.041
local terms energy: -53.882698
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -79.016250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016250 (E_RNA)
where:
Base-Base interactions energy: -27.439
where: short stacking energy: -27.439
Base-Backbone interact. energy: 0.335
local terms energy: -51.911877
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -93.154779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.154779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.154779 (E_RNA)
where:
Base-Base interactions energy: -49.728
where: short stacking energy: -27.894
Base-Backbone interact. energy: -0.047
local terms energy: -43.380249
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -4.445
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: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -208.991668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.991668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.991668 (E_RNA)
where:
Base-Base interactions energy: -138.821
where: short stacking energy: -79.661
Base-Backbone interact. energy: 2.626
local terms energy: -72.796671
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -21.104
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -200.424958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.424958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.424958 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -77.269
Base-Backbone interact. energy: 0.239
local terms energy: -79.340734
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -184.992597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.992597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.992597 (E_RNA)
where:
Base-Base interactions energy: -108.135
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.104
local terms energy: -76.753570
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -185.972022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972022 (E_RNA)
where:
Base-Base interactions energy: -119.240
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.010
local terms energy: -66.721863
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -181.366207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.366207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.366207 (E_RNA)
where:
Base-Base interactions energy: -113.738
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.140
local terms energy: -67.487450
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -7.006
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: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -161.628720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.628720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.628720 (E_RNA)
where:
Base-Base interactions energy: -96.625
where: short stacking energy: -49.313
Base-Backbone interact. energy: -0.119
local terms energy: -64.885420
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -92.638626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.638626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.638626 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -22.134
Base-Backbone interact. energy: -0.050
local terms energy: -57.211784
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -98.723924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.723924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.723924 (E_RNA)
where:
Base-Base interactions energy: -46.156
where: short stacking energy: -46.156
Base-Backbone interact. energy: -0.020
local terms energy: -52.547420
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -12.535
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: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -83.361996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361996 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.205
local terms energy: -45.435184
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -77.726009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.726009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.726009 (E_RNA)
where:
Base-Base interactions energy: -23.910
where: short stacking energy: -24.110
Base-Backbone interact. energy: 0.071
local terms energy: -53.886661
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -9.501
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: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -216.631093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.631093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.631093 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -71.008
Base-Backbone interact. energy: -0.088
local terms energy: -79.735254
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -198.120602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120602 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.471
local terms energy: -80.244505
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -181.360618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.360618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.360618 (E_RNA)
where:
Base-Base interactions energy: -106.567
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.011
local terms energy: -74.782467
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -12.530
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: 94
Temperature: 1.050000
Total energy: -162.070786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.070786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.070786 (E_RNA)
where:
Base-Base interactions energy: -98.580
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.013
local terms energy: -63.478022
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -11.485
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: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -188.423279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.423279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.423279 (E_RNA)
where:
Base-Base interactions energy: -110.518
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.276
local terms energy: -77.629736
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -152.963846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.963846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.963846 (E_RNA)
where:
Base-Base interactions energy: -95.084
where: short stacking energy: -54.851
Base-Backbone interact. energy: 0.169
local terms energy: -58.048642
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -6.714
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -111.788973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.788973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.788973 (E_RNA)
where:
Base-Base interactions energy: -50.497
where: short stacking energy: -46.639
Base-Backbone interact. energy: 0.034
local terms energy: -61.326646
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -100.854797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.854797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.854797 (E_RNA)
where:
Base-Base interactions energy: -48.992
where: short stacking energy: -38.325
Base-Backbone interact. energy: -0.336
local terms energy: -51.526993
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -98.559762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.559762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.559762 (E_RNA)
where:
Base-Base interactions energy: -50.713
where: short stacking energy: -21.600
Base-Backbone interact. energy: -0.375
local terms energy: -47.472185
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -76.818762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818762 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -28.975
Base-Backbone interact. energy: -0.429
local terms energy: -46.538637
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -206.504819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.504819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.504819 (E_RNA)
where:
Base-Base interactions energy: -130.948
where: short stacking energy: -70.683
Base-Backbone interact. energy: 0.110
local terms energy: -75.666067
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -192.928319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.928319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928319 (E_RNA)
where:
Base-Base interactions energy: -115.115
where: short stacking energy: -71.982
Base-Backbone interact. energy: -0.013
local terms energy: -77.800827
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -195.393324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393324 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -63.580
Base-Backbone interact. energy: 0.314
local terms energy: -81.317809
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -10.933
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: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -190.191874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.191874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.191874 (E_RNA)
where:
Base-Base interactions energy: -119.732
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.003
local terms energy: -70.456790
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -143.198599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.198599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.198599 (E_RNA)
where:
Base-Base interactions energy: -82.176
where: short stacking energy: -49.579
Base-Backbone interact. energy: 2.010
local terms energy: -63.033290
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -103.514054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.514054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.514054 (E_RNA)
where:
Base-Base interactions energy: -40.905
where: short stacking energy: -37.088
Base-Backbone interact. energy: 0.813
local terms energy: -63.422195
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -140.349341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.349341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.349341 (E_RNA)
where:
Base-Base interactions energy: -78.820
where: short stacking energy: -43.172
Base-Backbone interact. energy: 1.451
local terms energy: -62.981027
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -85.317885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.317885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.317885 (E_RNA)
where:
Base-Base interactions energy: -30.892
where: short stacking energy: -28.371
Base-Backbone interact. energy: -0.487
local terms energy: -53.938996
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.351
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: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -88.276195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.276195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.276195 (E_RNA)
where:
Base-Base interactions energy: -30.096
where: short stacking energy: -28.994
Base-Backbone interact. energy: 1.893
local terms energy: -60.073730
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -12.874
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: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -82.132205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.132205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.132205 (E_RNA)
where:
Base-Base interactions energy: -37.023
where: short stacking energy: -37.023
Base-Backbone interact. energy: -0.139
local terms energy: -44.970539
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -201.854614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.854614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.854614 (E_RNA)
where:
Base-Base interactions energy: -117.412
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.047
local terms energy: -84.395232
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -19.307
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: 96
Temperature: 0.950000
Total energy: -221.567769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.567769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.567769 (E_RNA)
where:
Base-Base interactions energy: -135.359
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.002
local terms energy: -86.206749
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -13.374
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -176.988634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988634 (E_RNA)
where:
Base-Base interactions energy: -110.161
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.109
local terms energy: -66.718980
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -12.395
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: 96
Temperature: 1.050000
Total energy: -183.493809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.493809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.493809 (E_RNA)
where:
Base-Base interactions energy: -114.077
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.669
local terms energy: -68.747479
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -16.752
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: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -151.161801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.161801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.161801 (E_RNA)
where:
Base-Base interactions energy: -84.664
where: short stacking energy: -49.962
Base-Backbone interact. energy: -0.037
local terms energy: -66.461067
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -110.341748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.341748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.341748 (E_RNA)
where:
Base-Base interactions energy: -49.328
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.512
local terms energy: -60.501254
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -159.817694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.817694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.817694 (E_RNA)
where:
Base-Base interactions energy: -96.792
where: short stacking energy: -44.214
Base-Backbone interact. energy: -0.292
local terms energy: -62.733577
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -100.454341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.454341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.454341 (E_RNA)
where:
Base-Base interactions energy: -43.350
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.179
local terms energy: -56.925706
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -88.401930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.401930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.401930 (E_RNA)
where:
Base-Base interactions energy: -35.004
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.036
local terms energy: -53.361993
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -84.110029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.110029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.110029 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.144
local terms energy: -51.134205
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -193.745215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.745215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.745215 (E_RNA)
where:
Base-Base interactions energy: -114.133
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.148
local terms energy: -79.464083
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -228.111773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.111773 (E_RNA)
where:
Base-Base interactions energy: -137.815
where: short stacking energy: -80.074
Base-Backbone interact. energy: -0.021
local terms energy: -90.275956
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -25.603
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: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -192.912066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.912066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.912066 (E_RNA)
where:
Base-Base interactions energy: -119.823
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.055
local terms energy: -73.033362
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -170.876439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.876439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.876439 (E_RNA)
where:
Base-Base interactions energy: -101.195
where: short stacking energy: -49.214
Base-Backbone interact. energy: -0.158
local terms energy: -69.523669
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -166.873440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.873440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.873440 (E_RNA)
where:
Base-Base interactions energy: -99.424
where: short stacking energy: -55.292
Base-Backbone interact. energy: 0.209
local terms energy: -67.659292
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -172.837624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.837624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.837624 (E_RNA)
where:
Base-Base interactions energy: -104.169
where: short stacking energy: -58.823
Base-Backbone interact. energy: 0.012
local terms energy: -68.680549
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -113.986435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.986435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.986435 (E_RNA)
where:
Base-Base interactions energy: -49.177
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.198
local terms energy: -64.611442
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.069
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: 97
Temperature: 1.250000
Total energy: -87.959735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.959735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.959735 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -35.209
Base-Backbone interact. energy: -0.217
local terms energy: -48.908697
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -81.192308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.192308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.192308 (E_RNA)
where:
Base-Base interactions energy: -35.050
where: short stacking energy: -35.050
Base-Backbone interact. energy: -0.009
local terms energy: -46.133962
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -1.046
tors. eta vs tors. theta energy: -5.667
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.077275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.077275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.077275 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -34.226
Base-Backbone interact. energy: -0.159
local terms energy: -45.692610
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -6.748
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -4.709
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: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -223.388921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.388921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.388921 (E_RNA)
where:
Base-Base interactions energy: -143.156
where: short stacking energy: -81.317
Base-Backbone interact. energy: -0.001
local terms energy: -80.231875
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -188.067590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.067590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.067590 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -67.684
Base-Backbone interact. energy: 1.127
local terms energy: -74.285045
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -7.695
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: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -194.380572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.380572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.380572 (E_RNA)
where:
Base-Base interactions energy: -119.940
where: short stacking energy: -72.648
Base-Backbone interact. energy: 0.436
local terms energy: -74.876661
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -21.703
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -159.838375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.838375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.838375 (E_RNA)
where:
Base-Base interactions energy: -89.159
where: short stacking energy: -46.343
Base-Backbone interact. energy: -0.193
local terms energy: -70.486157
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -165.847936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.847936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.847936 (E_RNA)
where:
Base-Base interactions energy: -98.269
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.089
local terms energy: -67.489321
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -169.643788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.643788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.643788 (E_RNA)
where:
Base-Base interactions energy: -93.660
where: short stacking energy: -46.763
Base-Backbone interact. energy: -0.054
local terms energy: -75.930583
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -102.465994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.465994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.465994 (E_RNA)
where:
Base-Base interactions energy: -50.670
where: short stacking energy: -38.147
Base-Backbone interact. energy: -0.086
local terms energy: -51.709664
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.472
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: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -92.499696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499696 (E_RNA)
where:
Base-Base interactions energy: -35.760
where: short stacking energy: -28.573
Base-Backbone interact. energy: 0.059
local terms energy: -56.799374
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -87.678410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.678410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.678410 (E_RNA)
where:
Base-Base interactions energy: -44.336
where: short stacking energy: -26.030
Base-Backbone interact. energy: 0.567
local terms energy: -43.910143
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.945
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -85.835084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835084 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -36.448
Base-Backbone interact. energy: -0.105
local terms energy: -49.282533
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -208.391732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.391732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.391732 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.006
local terms energy: -89.089570
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -21.103
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: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -195.180852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.180852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.180852 (E_RNA)
where:
Base-Base interactions energy: -116.165
where: short stacking energy: -66.662
Base-Backbone interact. energy: -0.411
local terms energy: -78.605540
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -192.441019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.441019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.441019 (E_RNA)
where:
Base-Base interactions energy: -113.125
where: short stacking energy: -56.319
Base-Backbone interact. energy: 1.876
local terms energy: -81.192222
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.067
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: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -187.508175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.508175 (E_RNA)
where:
Base-Base interactions energy: -107.356
where: short stacking energy: -69.533
Base-Backbone interact. energy: -0.101
local terms energy: -80.050247
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -161.052699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.052699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.052699 (E_RNA)
where:
Base-Base interactions energy: -100.701
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.407
local terms energy: -59.944940
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.884
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: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -161.901438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.901438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.901438 (E_RNA)
where:
Base-Base interactions energy: -90.565
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.118
local terms energy: -71.218275
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -102.135897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.135897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.135897 (E_RNA)
where:
Base-Base interactions energy: -46.773
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.088
local terms energy: -55.274782
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -83.942014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.942014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.942014 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -30.067
Base-Backbone interact. energy: -0.674
local terms energy: -53.201480
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -100.804782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.804782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.804782 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -43.172
Base-Backbone interact. energy: -0.085
local terms energy: -57.547645
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -84.812855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.812855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.812855 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.104
local terms energy: -57.213010
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -222.142898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142898 (E_RNA)
where:
Base-Base interactions energy: -136.763
where: short stacking energy: -80.405
Base-Backbone interact. energy: -0.839
local terms energy: -84.540424
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -23.679
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -207.283881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.283881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.283881 (E_RNA)
where:
Base-Base interactions energy: -121.588
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.001
local terms energy: -85.694317
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -193.058143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.058143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.058143 (E_RNA)
where:
Base-Base interactions energy: -118.983
where: short stacking energy: -62.469
Base-Backbone interact. energy: 0.101
local terms energy: -74.176108
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -174.848499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.848499 (E_RNA)
where:
Base-Base interactions energy: -99.860
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.141
local terms energy: -74.848149
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -183.817660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.817660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.817660 (E_RNA)
where:
Base-Base interactions energy: -108.476
where: short stacking energy: -60.064
Base-Backbone interact. energy: -0.108
local terms energy: -75.234397
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -146.477422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.477422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.477422 (E_RNA)
where:
Base-Base interactions energy: -77.805
where: short stacking energy: -47.600
Base-Backbone interact. energy: -0.124
local terms energy: -68.548912
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -96.051161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.051161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.051161 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -34.276
Base-Backbone interact. energy: -0.121
local terms energy: -61.654654
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -92.923077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.923077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.923077 (E_RNA)
where:
Base-Base interactions energy: -50.113
where: short stacking energy: -45.215
Base-Backbone interact. energy: -0.204
local terms energy: -42.606281
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -94.617520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617520 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -22.642
Base-Backbone interact. energy: -0.242
local terms energy: -61.088890
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -83.169563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.169563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.169563 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.059
local terms energy: -54.694978
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -230.072608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.072608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.072608 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -88.271
Base-Backbone interact. energy: -3.071
local terms energy: -86.854513
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -24.170
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: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -197.947616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.947616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.947616 (E_RNA)
where:
Base-Base interactions energy: -119.351
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.129
local terms energy: -78.466944
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -204.188357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.188357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.188357 (E_RNA)
where:
Base-Base interactions energy: -120.449
where: short stacking energy: -74.714
Base-Backbone interact. energy: -0.013
local terms energy: -83.725634
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.026
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: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -168.604751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.604751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.604751 (E_RNA)
where:
Base-Base interactions energy: -99.454
where: short stacking energy: -53.521
Base-Backbone interact. energy: -0.009
local terms energy: -69.141997
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -169.848411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.848411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.848411 (E_RNA)
where:
Base-Base interactions energy: -97.215
where: short stacking energy: -56.292
Base-Backbone interact. energy: 1.266
local terms energy: -73.900056
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -135.135355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.135355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.135355 (E_RNA)
where:
Base-Base interactions energy: -66.647
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.230
local terms energy: -68.258865
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -99.459165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.459165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.459165 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -38.785
Base-Backbone interact. energy: -0.057
local terms energy: -60.616871
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -88.819824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819824 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -35.453
Base-Backbone interact. energy: -0.049
local terms energy: -53.317037
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -86.433434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433434 (E_RNA)
where:
Base-Base interactions energy: -31.628
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.013
local terms energy: -54.791723
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -72.641675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.641675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.641675 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -25.583
Base-Backbone interact. energy: -0.066
local terms energy: -45.968696
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -218.233345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.233345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.233345 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -79.351
Base-Backbone interact. energy: -0.034
local terms energy: -84.567238
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -209.616529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616529 (E_RNA)
where:
Base-Base interactions energy: -135.623
where: short stacking energy: -74.830
Base-Backbone interact. energy: -0.036
local terms energy: -73.957671
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -180.799451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.799451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.799451 (E_RNA)
where:
Base-Base interactions energy: -110.754
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.095
local terms energy: -69.950458
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -169.546441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.546441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.546441 (E_RNA)
where:
Base-Base interactions energy: -96.179
where: short stacking energy: -51.475
Base-Backbone interact. energy: -0.304
local terms energy: -73.063737
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -166.413544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.413544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.413544 (E_RNA)
where:
Base-Base interactions energy: -94.215
where: short stacking energy: -48.036
Base-Backbone interact. energy: -0.102
local terms energy: -72.096673
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -9.561
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: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -155.306013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.306013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.306013 (E_RNA)
where:
Base-Base interactions energy: -87.477
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.110
local terms energy: -67.719552
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.858
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: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -103.093145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.093145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.093145 (E_RNA)
where:
Base-Base interactions energy: -39.332
where: short stacking energy: -39.332
Base-Backbone interact. energy: -0.332
local terms energy: -63.429264
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -101.042978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.042978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.042978 (E_RNA)
where:
Base-Base interactions energy: -44.168
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.553
local terms energy: -56.322195
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -87.042736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.042736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.042736 (E_RNA)
where:
Base-Base interactions energy: -29.332
where: short stacking energy: -29.332
Base-Backbone interact. energy: -0.163
local terms energy: -57.548122
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -70.303925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.303925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.303925 (E_RNA)
where:
Base-Base interactions energy: -22.235
where: short stacking energy: -17.498
Base-Backbone interact. energy: -0.553
local terms energy: -47.516068
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: 1.829
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: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -214.533005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.533005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.533005 (E_RNA)
where:
Base-Base interactions energy: -133.775
where: short stacking energy: -79.575
Base-Backbone interact. energy: -0.024
local terms energy: -80.734318
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -208.883252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.883252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.883252 (E_RNA)
where:
Base-Base interactions energy: -130.591
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.010
local terms energy: -78.282036
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -184.209545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.209545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.209545 (E_RNA)
where:
Base-Base interactions energy: -115.047
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.119
local terms energy: -69.043376
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -163.176734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.176734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.176734 (E_RNA)
where:
Base-Base interactions energy: -96.554
where: short stacking energy: -44.134
Base-Backbone interact. energy: 0.104
local terms energy: -66.726215
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -11.220
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: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -167.546602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.546602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.546602 (E_RNA)
where:
Base-Base interactions energy: -102.556
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.453
local terms energy: -64.537688
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -7.697
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: 6, replica: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -103.170390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.170390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.170390 (E_RNA)
where:
Base-Base interactions energy: -47.847
where: short stacking energy: -47.847
Base-Backbone interact. energy: -0.158
local terms energy: -55.165735
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -8.172
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -110.056741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056741 (E_RNA)
where:
Base-Base interactions energy: -58.183
where: short stacking energy: -33.962
Base-Backbone interact. energy: -0.038
local terms energy: -51.835125
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -83.955776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.955776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.955776 (E_RNA)
where:
Base-Base interactions energy: -25.449
where: short stacking energy: -25.449
Base-Backbone interact. energy: -0.062
local terms energy: -58.444816
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -82.767815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.767815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.767815 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.362
local terms energy: -47.769849
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -80.158914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.158914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.158914 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.176
local terms energy: -46.040173
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -8.803
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -212.797957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.797957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.797957 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -79.406
Base-Backbone interact. energy: -0.001
local terms energy: -76.646660
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -24.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -219.388112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.388112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.388112 (E_RNA)
where:
Base-Base interactions energy: -135.197
where: short stacking energy: -84.053
Base-Backbone interact. energy: -1.277
local terms energy: -82.913389
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -189.316165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.316165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.316165 (E_RNA)
where:
Base-Base interactions energy: -118.310
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.052
local terms energy: -70.953497
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -181.914825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.914825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.914825 (E_RNA)
where:
Base-Base interactions energy: -107.088
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.671
local terms energy: -74.156008
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -171.649510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.649510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.649510 (E_RNA)
where:
Base-Base interactions energy: -96.046
where: short stacking energy: -48.853
Base-Backbone interact. energy: -0.229
local terms energy: -75.374549
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -11.938
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: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -124.896804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.896804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.896804 (E_RNA)
where:
Base-Base interactions energy: -62.253
where: short stacking energy: -48.360
Base-Backbone interact. energy: -0.304
local terms energy: -62.339833
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -89.280513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.280513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.280513 (E_RNA)
where:
Base-Base interactions energy: -44.583
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.057
local terms energy: -44.640272
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -87.833089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.833089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.833089 (E_RNA)
where:
Base-Base interactions energy: -46.930
where: short stacking energy: -33.899
Base-Backbone interact. energy: 1.584
local terms energy: -42.487075
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -0.749
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: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -82.599612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599612 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -27.449
Base-Backbone interact. energy: 0.274
local terms energy: -52.131970
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -86.396134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396134 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -33.165
Base-Backbone interact. energy: -0.179
local terms energy: -53.052229
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -199.891815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.891815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.891815 (E_RNA)
where:
Base-Base interactions energy: -123.758
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.076
local terms energy: -76.057590
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -212.119672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.119672 (E_RNA)
where:
Base-Base interactions energy: -125.159
where: short stacking energy: -72.151
Base-Backbone interact. energy: -0.012
local terms energy: -86.948199
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -23.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -191.725483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.725483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.725483 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.686
local terms energy: -78.066336
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -157.616259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.616259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.616259 (E_RNA)
where:
Base-Base interactions energy: -99.519
where: short stacking energy: -53.614
Base-Backbone interact. energy: -0.144
local terms energy: -57.953528
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -4.331
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -181.509064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.509064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.509064 (E_RNA)
where:
Base-Base interactions energy: -109.374
where: short stacking energy: -58.010
Base-Backbone interact. energy: 0.448
local terms energy: -72.583215
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -12.038
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: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -110.813507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.813507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.813507 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -44.860
Base-Backbone interact. energy: 1.458
local terms energy: -67.361448
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -92.710579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.710579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.710579 (E_RNA)
where:
Base-Base interactions energy: -38.286
where: short stacking energy: -29.245
Base-Backbone interact. energy: -0.021
local terms energy: -54.403185
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -98.572226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.572226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.572226 (E_RNA)
where:
Base-Base interactions energy: -50.327
where: short stacking energy: -27.227
Base-Backbone interact. energy: -0.124
local terms energy: -48.121023
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -87.054255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.054255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.054255 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -34.030
Base-Backbone interact. energy: -0.110
local terms energy: -52.914313
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -11.406
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: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -92.945268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945268 (E_RNA)
where:
Base-Base interactions energy: -32.892
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.101
local terms energy: -59.951706
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -10.063
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: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -217.222536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.222536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.222536 (E_RNA)
where:
Base-Base interactions energy: -131.911
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.015
local terms energy: -85.296276
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -193.759015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.759015 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -77.755
Base-Backbone interact. energy: -0.157
local terms energy: -67.596633
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -173.652376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.652376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.652376 (E_RNA)
where:
Base-Base interactions energy: -102.998
where: short stacking energy: -54.428
Base-Backbone interact. energy: -0.440
local terms energy: -70.214218
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -186.488752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.488752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.488752 (E_RNA)
where:
Base-Base interactions energy: -116.291
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.099
local terms energy: -70.099266
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -171.878980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.878980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.878980 (E_RNA)
where:
Base-Base interactions energy: -107.528
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.179
local terms energy: -64.171956
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -11.415
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: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -102.549963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.549963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.549963 (E_RNA)
where:
Base-Base interactions energy: -39.498
where: short stacking energy: -39.498
Base-Backbone interact. energy: -0.123
local terms energy: -62.929699
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -90.944062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.944062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.944062 (E_RNA)
where:
Base-Base interactions energy: -48.411
where: short stacking energy: -27.280
Base-Backbone interact. energy: -0.156
local terms energy: -42.376636
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -6.822
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -91.979639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.979639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.979639 (E_RNA)
where:
Base-Base interactions energy: -59.579
where: short stacking energy: -34.211
Base-Backbone interact. energy: 0.731
local terms energy: -33.131478
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -6.658
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: 3.681
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: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -86.075597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.075597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.075597 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.012
local terms energy: -53.503024
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -96.481838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.481838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.481838 (E_RNA)
where:
Base-Base interactions energy: -49.662
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.182
local terms energy: -46.637528
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.945
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: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -218.400802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.400802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.400802 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -80.223
Base-Backbone interact. energy: -0.014
local terms energy: -83.037231
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -190.932040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.932040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.932040 (E_RNA)
where:
Base-Base interactions energy: -117.015
where: short stacking energy: -65.079
Base-Backbone interact. energy: -0.162
local terms energy: -73.754623
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -16.889
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -168.378626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.378626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.378626 (E_RNA)
where:
Base-Base interactions energy: -106.065
where: short stacking energy: -64.279
Base-Backbone interact. energy: -0.028
local terms energy: -62.285883
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -18.076
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: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -172.897889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.897889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.897889 (E_RNA)
where:
Base-Base interactions energy: -107.008
where: short stacking energy: -54.325
Base-Backbone interact. energy: -0.096
local terms energy: -65.794032
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -162.483256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.483256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.483256 (E_RNA)
where:
Base-Base interactions energy: -101.236
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.103
local terms energy: -61.143663
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -91.993519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.993519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.993519 (E_RNA)
where:
Base-Base interactions energy: -33.870
where: short stacking energy: -33.870
Base-Backbone interact. energy: 0.729
local terms energy: -58.852089
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -103.018862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.018862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.018862 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -41.467
Base-Backbone interact. energy: -0.067
local terms energy: -61.484875
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -9.974
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: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -94.165140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.165140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.165140 (E_RNA)
where:
Base-Base interactions energy: -43.323
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.005
local terms energy: -50.836525
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -75.401409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.401409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.401409 (E_RNA)
where:
Base-Base interactions energy: -25.202
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.154
local terms energy: -50.045787
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -9.495
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: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -77.077547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.077547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.077547 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -22.875
Base-Backbone interact. energy: -0.242
local terms energy: -49.640201
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: 2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -207.276144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.276144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.276144 (E_RNA)
where:
Base-Base interactions energy: -127.455
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.048
local terms energy: -79.773202
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -224.183247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.183247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.183247 (E_RNA)
where:
Base-Base interactions energy: -140.797
where: short stacking energy: -81.591
Base-Backbone interact. energy: -0.054
local terms energy: -83.332811
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -13.740
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: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -193.275456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.275456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.275456 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -57.444
Base-Backbone interact. energy: -0.106
local terms energy: -75.820962
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -169.770445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.770445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.770445 (E_RNA)
where:
Base-Base interactions energy: -102.300
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.165
local terms energy: -67.305716
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -157.825422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.825422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.825422 (E_RNA)
where:
Base-Base interactions energy: -92.190
where: short stacking energy: -45.150
Base-Backbone interact. energy: -0.525
local terms energy: -65.110442
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -129.446999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.446999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.446999 (E_RNA)
where:
Base-Base interactions energy: -71.524
where: short stacking energy: -41.677
Base-Backbone interact. energy: -0.271
local terms energy: -57.652380
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -106.536352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.536352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.536352 (E_RNA)
where:
Base-Base interactions energy: -43.788
where: short stacking energy: -43.788
Base-Backbone interact. energy: -0.528
local terms energy: -62.219569
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.893
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: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -101.098571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.098571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.098571 (E_RNA)
where:
Base-Base interactions energy: -42.039
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.078
local terms energy: -58.981443
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.668233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668233 (E_RNA)
where:
Base-Base interactions energy: -35.337
where: short stacking energy: -35.337
Base-Backbone interact. energy: 0.462
local terms energy: -54.792669
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -7.856
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: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -93.260089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.260089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.260089 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.121
local terms energy: -58.355514
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -206.342204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.342204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.342204 (E_RNA)
where:
Base-Base interactions energy: -126.790
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.053
local terms energy: -79.498800
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -19.653
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: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -185.554940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.554940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.554940 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.149
local terms energy: -65.410680
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -203.243702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.243702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.243702 (E_RNA)
where:
Base-Base interactions energy: -119.304
where: short stacking energy: -69.793
Base-Backbone interact. energy: -0.058
local terms energy: -83.881255
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -181.607474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.607474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.607474 (E_RNA)
where:
Base-Base interactions energy: -111.021
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.765
local terms energy: -69.822297
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -166.782132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.782132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.782132 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.371
local terms energy: -71.160616
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -15.024
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: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -150.209013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.209013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.209013 (E_RNA)
where:
Base-Base interactions energy: -82.247
where: short stacking energy: -53.361
Base-Backbone interact. energy: -0.097
local terms energy: -67.864844
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -95.599400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599400 (E_RNA)
where:
Base-Base interactions energy: -38.425
where: short stacking energy: -38.362
Base-Backbone interact. energy: -0.318
local terms energy: -56.856708
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -119.170101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.170101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.170101 (E_RNA)
where:
Base-Base interactions energy: -53.011
where: short stacking energy: -53.011
Base-Backbone interact. energy: -0.017
local terms energy: -66.141866
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -16.331
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -86.427713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.427713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.427713 (E_RNA)
where:
Base-Base interactions energy: -41.722
where: short stacking energy: -17.518
Base-Backbone interact. energy: -0.098
local terms energy: -44.607243
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -2.571
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -88.319375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.319375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.319375 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -34.461
Base-Backbone interact. energy: -0.202
local terms energy: -49.661091
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -3.277
flat angles P-C4'-P energy: -7.095
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: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -196.751218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.751218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.751218 (E_RNA)
where:
Base-Base interactions energy: -114.242
where: short stacking energy: -65.273
Base-Backbone interact. energy: 0.067
local terms energy: -82.576375
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -192.353096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.353096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.353096 (E_RNA)
where:
Base-Base interactions energy: -111.221
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.188
local terms energy: -80.944348
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -188.060861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060861 (E_RNA)
where:
Base-Base interactions energy: -126.801
where: short stacking energy: -61.123
Base-Backbone interact. energy: -0.364
local terms energy: -60.895318
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -178.519650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.519650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.519650 (E_RNA)
where:
Base-Base interactions energy: -104.490
where: short stacking energy: -40.926
Base-Backbone interact. energy: -0.104
local terms energy: -73.925698
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -9.897
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -170.573259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.573259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.573259 (E_RNA)
where:
Base-Base interactions energy: -101.495
where: short stacking energy: -64.947
Base-Backbone interact. energy: -0.324
local terms energy: -68.754121
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -131.343954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.343954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.343954 (E_RNA)
where:
Base-Base interactions energy: -67.790
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.290
local terms energy: -63.264092
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -104.900299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.900299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.900299 (E_RNA)
where:
Base-Base interactions energy: -44.982
where: short stacking energy: -21.256
Base-Backbone interact. energy: -0.354
local terms energy: -59.564127
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -126.961498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.961498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.961498 (E_RNA)
where:
Base-Base interactions energy: -72.529
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.485
local terms energy: -53.946906
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -77.181422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.181422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.181422 (E_RNA)
where:
Base-Base interactions energy: -23.550
where: short stacking energy: -16.147
Base-Backbone interact. energy: -0.085
local terms energy: -53.546858
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: 4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -82.440522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.440522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.440522 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -29.388
Base-Backbone interact. energy: 0.300
local terms energy: -53.352477
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -8.715
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: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -185.304138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.304138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.304138 (E_RNA)
where:
Base-Base interactions energy: -106.153
where: short stacking energy: -67.489
Base-Backbone interact. energy: -0.000
local terms energy: -79.150853
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -185.711942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.711942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.711942 (E_RNA)
where:
Base-Base interactions energy: -104.059
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.025
local terms energy: -81.627341
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -184.221296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.221296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.221296 (E_RNA)
where:
Base-Base interactions energy: -109.663
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.009
local terms energy: -74.548444
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -177.441915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441915 (E_RNA)
where:
Base-Base interactions energy: -102.201
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.080
local terms energy: -75.161573
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -17.576
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: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -169.757325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.757325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.757325 (E_RNA)
where:
Base-Base interactions energy: -113.081
where: short stacking energy: -55.403
Base-Backbone interact. energy: -0.300
local terms energy: -56.376495
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -93.583868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583868 (E_RNA)
where:
Base-Base interactions energy: -44.206
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.132
local terms energy: -49.245938
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -3.664
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: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -126.115008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.115008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.115008 (E_RNA)
where:
Base-Base interactions energy: -74.830
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.206
local terms energy: -51.079657
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -132.209230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.209230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.209230 (E_RNA)
where:
Base-Base interactions energy: -68.814
where: short stacking energy: -40.470
Base-Backbone interact. energy: -0.120
local terms energy: -63.275581
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -80.151170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.151170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.151170 (E_RNA)
where:
Base-Base interactions energy: -28.597
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.065
local terms energy: -51.489466
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -89.809072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809072 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -36.162
Base-Backbone interact. energy: 0.028
local terms energy: -53.674989
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -201.520053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.520053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.520053 (E_RNA)
where:
Base-Base interactions energy: -118.659
where: short stacking energy: -72.268
Base-Backbone interact. energy: -0.042
local terms energy: -82.819507
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -13.653
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: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -191.247569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.247569 (E_RNA)
where:
Base-Base interactions energy: -124.121
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.123
local terms energy: -67.003407
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -176.642660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.642660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.642660 (E_RNA)
where:
Base-Base interactions energy: -108.152
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.163
local terms energy: -68.327076
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -9.406
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: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -194.491186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.491186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.491186 (E_RNA)
where:
Base-Base interactions energy: -116.527
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.002
local terms energy: -77.962094
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -179.491465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.491465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.491465 (E_RNA)
where:
Base-Base interactions energy: -113.469
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.017
local terms energy: -66.005434
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -94.843567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.843567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.843567 (E_RNA)
where:
Base-Base interactions energy: -46.307
where: short stacking energy: -39.641
Base-Backbone interact. energy: -0.892
local terms energy: -47.644168
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.725
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: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -136.842904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.842904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.842904 (E_RNA)
where:
Base-Base interactions energy: -69.999
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.016
local terms energy: -66.827767
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -90.612008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.612008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.612008 (E_RNA)
where:
Base-Base interactions energy: -35.157
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.494
local terms energy: -54.960455
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -4.436
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: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -91.193429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.193429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.193429 (E_RNA)
where:
Base-Base interactions energy: -45.611
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.361
local terms energy: -45.221701
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -84.016387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.016387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.016387 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.194
local terms energy: -51.848089
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -206.420830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.420830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.420830 (E_RNA)
where:
Base-Base interactions energy: -121.249
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.086
local terms energy: -85.085879
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -199.553017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.553017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.553017 (E_RNA)
where:
Base-Base interactions energy: -116.004
where: short stacking energy: -72.686
Base-Backbone interact. energy: -0.005
local terms energy: -83.544296
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -171.338313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.338313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.338313 (E_RNA)
where:
Base-Base interactions energy: -105.469
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.004
local terms energy: -65.864903
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -6.382
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: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -188.560378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.560378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.560378 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -63.649
Base-Backbone interact. energy: -0.039
local terms energy: -79.396231
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -174.372664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.372664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.372664 (E_RNA)
where:
Base-Base interactions energy: -103.851
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.109
local terms energy: -70.412752
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -174.914881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914881 (E_RNA)
where:
Base-Base interactions energy: -103.789
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.019
local terms energy: -71.107619
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -94.075339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.075339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.075339 (E_RNA)
where:
Base-Base interactions energy: -51.407
where: short stacking energy: -34.073
Base-Backbone interact. energy: -0.306
local terms energy: -42.362303
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -82.378576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.378576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.378576 (E_RNA)
where:
Base-Base interactions energy: -30.851
where: short stacking energy: -30.851
Base-Backbone interact. energy: 1.450
local terms energy: -52.977539
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.743
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: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -86.136257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.136257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.136257 (E_RNA)
where:
Base-Base interactions energy: -35.693
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.030
local terms energy: -50.412878
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.646382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.646382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.646382 (E_RNA)
where:
Base-Base interactions energy: -28.456
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.034
local terms energy: -48.156504
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -192.301628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.301628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.301628 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.100
local terms energy: -77.285724
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -203.958288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.958288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.958288 (E_RNA)
where:
Base-Base interactions energy: -116.222
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.003
local terms energy: -87.733596
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -181.155437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.155437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.155437 (E_RNA)
where:
Base-Base interactions energy: -110.324
where: short stacking energy: -54.684
Base-Backbone interact. energy: -0.108
local terms energy: -70.723610
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -199.682148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.682148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.682148 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -58.630
Base-Backbone interact. energy: -0.031
local terms energy: -75.502911
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -18.576
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -162.713189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.713189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.713189 (E_RNA)
where:
Base-Base interactions energy: -96.541
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.079
local terms energy: -66.093875
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -9.792
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -169.469373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.469373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.469373 (E_RNA)
where:
Base-Base interactions energy: -104.212
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.308
local terms energy: -64.949376
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.383
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: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -91.298395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298395 (E_RNA)
where:
Base-Base interactions energy: -33.902
where: short stacking energy: -33.902
Base-Backbone interact. energy: -0.061
local terms energy: -57.335001
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -83.300699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300699 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -34.056
Base-Backbone interact. energy: -0.188
local terms energy: -49.056902
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -87.486285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486285 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.323
local terms energy: -46.539582
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: 2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -80.836905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836905 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -20.114
Base-Backbone interact. energy: -0.185
local terms energy: -51.562835
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: 3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -196.320235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.320235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.320235 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.141
local terms energy: -80.795564
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -20.708
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: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -188.517899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.517899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.517899 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.038
local terms energy: -61.711107
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -2.790
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -187.542869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.542869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.542869 (E_RNA)
where:
Base-Base interactions energy: -107.361
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.079
local terms energy: -80.102735
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -188.641161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.641161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.641161 (E_RNA)
where:
Base-Base interactions energy: -123.413
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.105
local terms energy: -65.122865
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -13.770
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -161.031745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.031745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.031745 (E_RNA)
where:
Base-Base interactions energy: -96.028
where: short stacking energy: -50.193
Base-Backbone interact. energy: -0.056
local terms energy: -64.947762
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -164.027782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.027782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.027782 (E_RNA)
where:
Base-Base interactions energy: -98.220
where: short stacking energy: -48.298
Base-Backbone interact. energy: -0.108
local terms energy: -65.700035
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -13.160
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: 115
Temperature: 1.200000
Total energy: -91.600962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.600962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.600962 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.071
local terms energy: -54.481486
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -4.361
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -92.285693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.285693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.285693 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -35.177
Base-Backbone interact. energy: -0.180
local terms energy: -58.720431
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -11.040
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: 10
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -75.912870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.912870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.912870 (E_RNA)
where:
Base-Base interactions energy: -33.368
where: short stacking energy: -28.370
Base-Backbone interact. energy: -0.337
local terms energy: -42.207296
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -79.232281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.232281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.232281 (E_RNA)
where:
Base-Base interactions energy: -28.384
where: short stacking energy: -26.828
Base-Backbone interact. energy: -0.452
local terms energy: -50.396565
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -199.209655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.209655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.209655 (E_RNA)
where:
Base-Base interactions energy: -121.304
where: short stacking energy: -70.034
Base-Backbone interact. energy: -0.027
local terms energy: -77.878706
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -198.218668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.218668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.218668 (E_RNA)
where:
Base-Base interactions energy: -119.644
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.102
local terms energy: -78.472344
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -203.986916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.986916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.986916 (E_RNA)
where:
Base-Base interactions energy: -128.006
where: short stacking energy: -74.159
Base-Backbone interact. energy: 0.180
local terms energy: -76.160475
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -182.274473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.274473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.274473 (E_RNA)
where:
Base-Base interactions energy: -108.070
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.072
local terms energy: -74.131787
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -171.693979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.693979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.693979 (E_RNA)
where:
Base-Base interactions energy: -101.614
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.137
local terms energy: -69.943279
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -171.640142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.640142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.640142 (E_RNA)
where:
Base-Base interactions energy: -98.927
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.141
local terms energy: -72.571422
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -91.275587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.275587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.275587 (E_RNA)
where:
Base-Base interactions energy: -36.639
where: short stacking energy: -35.082
Base-Backbone interact. energy: -0.166
local terms energy: -54.471382
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -5.559
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.517652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.517652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.517652 (E_RNA)
where:
Base-Base interactions energy: -30.381
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.625
local terms energy: -57.512008
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -7.194
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: 116
Temperature: 1.300000
Total energy: -84.234397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234397 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -16.670
Base-Backbone interact. energy: 5.779
local terms energy: -55.412636
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -8.562
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: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -82.623395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.623395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.623395 (E_RNA)
where:
Base-Base interactions energy: -36.867
where: short stacking energy: -28.598
Base-Backbone interact. energy: -0.508
local terms energy: -45.248174
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -195.531126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.531126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.531126 (E_RNA)
where:
Base-Base interactions energy: -126.478
where: short stacking energy: -70.102
Base-Backbone interact. energy: -1.009
local terms energy: -68.044287
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.317
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: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -178.623795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.623795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.623795 (E_RNA)
where:
Base-Base interactions energy: -103.732
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.101
local terms energy: -74.791145
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -214.013224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.013224 (E_RNA)
where:
Base-Base interactions energy: -128.359
where: short stacking energy: -73.445
Base-Backbone interact. energy: -0.000
local terms energy: -85.653811
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -161.254410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.254410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.254410 (E_RNA)
where:
Base-Base interactions energy: -90.784
where: short stacking energy: -46.300
Base-Backbone interact. energy: -0.127
local terms energy: -70.342918
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -164.097419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.097419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.097419 (E_RNA)
where:
Base-Base interactions energy: -91.716
where: short stacking energy: -51.184
Base-Backbone interact. energy: -0.134
local terms energy: -72.247243
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -182.414697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.414697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.414697 (E_RNA)
where:
Base-Base interactions energy: -108.263
where: short stacking energy: -60.788
Base-Backbone interact. energy: -0.001
local terms energy: -74.150532
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -104.583699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.583699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.583699 (E_RNA)
where:
Base-Base interactions energy: -40.945
where: short stacking energy: -40.945
Base-Backbone interact. energy: -0.009
local terms energy: -63.629877
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -101.450362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.450362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.450362 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -31.284
Base-Backbone interact. energy: 0.027
local terms energy: -59.034248
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -89.166192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.166192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.166192 (E_RNA)
where:
Base-Base interactions energy: -41.248
where: short stacking energy: -23.468
Base-Backbone interact. energy: -0.704
local terms energy: -47.213973
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -81.747539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.747539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.747539 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -19.219
Base-Backbone interact. energy: -0.017
local terms energy: -46.592025
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -198.601322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.601322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.601322 (E_RNA)
where:
Base-Base interactions energy: -120.562
where: short stacking energy: -71.786
Base-Backbone interact. energy: -0.008
local terms energy: -78.031358
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -196.663577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.663577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.663577 (E_RNA)
where:
Base-Base interactions energy: -113.154
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.022
local terms energy: -83.487263
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -206.087392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.087392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.087392 (E_RNA)
where:
Base-Base interactions energy: -128.963
where: short stacking energy: -74.858
Base-Backbone interact. energy: -0.004
local terms energy: -77.119828
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -166.771424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.771424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.771424 (E_RNA)
where:
Base-Base interactions energy: -100.657
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.117
local terms energy: -65.997184
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -189.951550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.951550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.951550 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.019
local terms energy: -71.378928
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -153.396145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.396145 (E_RNA)
where:
Base-Base interactions energy: -88.454
where: short stacking energy: -50.787
Base-Backbone interact. energy: 0.136
local terms energy: -65.078544
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -6.421
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: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -92.547821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547821 (E_RNA)
where:
Base-Base interactions energy: -39.841
where: short stacking energy: -27.938
Base-Backbone interact. energy: 0.386
local terms energy: -53.093521
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -0.504
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: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -104.524313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.524313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.524313 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -41.600
Base-Backbone interact. energy: -0.374
local terms energy: -60.187198
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -83.379772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.379772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.379772 (E_RNA)
where:
Base-Base interactions energy: -23.481
where: short stacking energy: -23.481
Base-Backbone interact. energy: -2.289
local terms energy: -57.610037
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -77.021328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.021328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.021328 (E_RNA)
where:
Base-Base interactions energy: -25.087
where: short stacking energy: -25.087
Base-Backbone interact. energy: -0.191
local terms energy: -51.743699
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -200.328341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.328341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.328341 (E_RNA)
where:
Base-Base interactions energy: -119.472
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.020
local terms energy: -80.836676
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -220.909951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.909951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.909951 (E_RNA)
where:
Base-Base interactions energy: -135.730
where: short stacking energy: -83.610
Base-Backbone interact. energy: -3.119
local terms energy: -82.060927
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -191.091349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.091349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.091349 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.050
local terms energy: -78.243539
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -19.697
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: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -190.242690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.242690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.242690 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.070
local terms energy: -75.360421
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -180.092091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.092091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.092091 (E_RNA)
where:
Base-Base interactions energy: -105.282
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.151
local terms energy: -74.658266
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -153.528115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.528115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.528115 (E_RNA)
where:
Base-Base interactions energy: -92.479
where: short stacking energy: -52.312
Base-Backbone interact. energy: -0.073
local terms energy: -60.975698
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -7.100
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: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -99.482963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482963 (E_RNA)
where:
Base-Base interactions energy: -44.824
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.068
local terms energy: -54.591119
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -81.621056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.621056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.621056 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.113
local terms energy: -45.684467
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -84.930534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930534 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -31.071
Base-Backbone interact. energy: -0.113
local terms energy: -53.747063
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -81.587291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.587291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.587291 (E_RNA)
where:
Base-Base interactions energy: -28.544
where: short stacking energy: -28.544
Base-Backbone interact. energy: -0.069
local terms energy: -52.973514
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.978
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: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -213.504741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.504741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.504741 (E_RNA)
where:
Base-Base interactions energy: -120.953
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.036
local terms energy: -92.516159
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -195.982570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.982570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.982570 (E_RNA)
where:
Base-Base interactions energy: -116.507
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.011
local terms energy: -79.464171
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -19.838
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: 120
Temperature: 1.000000
Total energy: -200.798522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.798522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.798522 (E_RNA)
where:
Base-Base interactions energy: -127.623
where: short stacking energy: -69.957
Base-Backbone interact. energy: -0.069
local terms energy: -73.106783
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -9.417
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: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -179.435995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.435995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.435995 (E_RNA)
where:
Base-Base interactions energy: -112.465
where: short stacking energy: -63.224
Base-Backbone interact. energy: -0.518
local terms energy: -66.453062
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -9.546
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -177.199224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.199224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.199224 (E_RNA)
where:
Base-Base interactions energy: -100.325
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.669
local terms energy: -76.204562
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.556
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: 120
Temperature: 1.150000
Total energy: -148.125326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.125326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.125326 (E_RNA)
where:
Base-Base interactions energy: -82.460
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.103
local terms energy: -65.561852
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -15.299
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: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -100.768222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.768222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.768222 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -45.853
Base-Backbone interact. energy: -0.154
local terms energy: -54.761247
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -104.597841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.597841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.597841 (E_RNA)
where:
Base-Base interactions energy: -46.178
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.091
local terms energy: -58.328971
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -88.330919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.330919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.330919 (E_RNA)
where:
Base-Base interactions energy: -34.143
where: short stacking energy: -34.143
Base-Backbone interact. energy: 1.075
local terms energy: -55.263250
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -83.813800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813800 (E_RNA)
where:
Base-Base interactions energy: -36.984
where: short stacking energy: -36.984
Base-Backbone interact. energy: -0.011
local terms energy: -46.819053
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -217.370492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.370492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.370492 (E_RNA)
where:
Base-Base interactions energy: -132.225
where: short stacking energy: -81.539
Base-Backbone interact. energy: -0.012
local terms energy: -85.133651
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -191.231140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.231140 (E_RNA)
where:
Base-Base interactions energy: -118.117
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.102
local terms energy: -73.012350
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -9.177
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: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -184.572332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.572332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.572332 (E_RNA)
where:
Base-Base interactions energy: -107.776
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.002
local terms energy: -76.795037
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -184.129973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.129973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.129973 (E_RNA)
where:
Base-Base interactions energy: -112.132
where: short stacking energy: -67.637
Base-Backbone interact. energy: 0.164
local terms energy: -72.161962
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -162.734002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.734002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.734002 (E_RNA)
where:
Base-Base interactions energy: -94.171
where: short stacking energy: -45.810
Base-Backbone interact. energy: -0.117
local terms energy: -68.446092
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -107.515571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.515571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.515571 (E_RNA)
where:
Base-Base interactions energy: -51.902
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.261
local terms energy: -55.353258
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -5.664
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: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -162.015906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.015906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.015906 (E_RNA)
where:
Base-Base interactions energy: -99.441
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.041
local terms energy: -62.533341
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -98.479588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.479588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.479588 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.187
local terms energy: -57.753080
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -7.995
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: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -96.874648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.874648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.874648 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.182
local terms energy: -58.532525
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -7.632
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -12.507
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: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -88.629287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.629287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.629287 (E_RNA)
where:
Base-Base interactions energy: -46.174
where: short stacking energy: -26.762
Base-Backbone interact. energy: -0.722
local terms energy: -41.733330
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -212.869454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.869454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.869454 (E_RNA)
where:
Base-Base interactions energy: -128.779
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.032
local terms energy: -84.058538
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -23.093
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: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -196.178007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.178007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.178007 (E_RNA)
where:
Base-Base interactions energy: -127.304
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.084
local terms energy: -68.790431
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -186.379220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.379220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.379220 (E_RNA)
where:
Base-Base interactions energy: -111.950
where: short stacking energy: -62.947
Base-Backbone interact. energy: -0.101
local terms energy: -74.327494
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -18.739
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: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -167.331366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.331366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.331366 (E_RNA)
where:
Base-Base interactions energy: -107.897
where: short stacking energy: -58.888
Base-Backbone interact. energy: 0.417
local terms energy: -59.851527
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -7.880
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: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -161.581813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.581813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.581813 (E_RNA)
where:
Base-Base interactions energy: -93.579
where: short stacking energy: -57.242
Base-Backbone interact. energy: -0.021
local terms energy: -67.981499
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -127.663185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.663185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.663185 (E_RNA)
where:
Base-Base interactions energy: -59.580
where: short stacking energy: -45.431
Base-Backbone interact. energy: -0.091
local terms energy: -67.992825
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -143.465540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.465540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.465540 (E_RNA)
where:
Base-Base interactions energy: -85.635
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.062
local terms energy: -57.767710
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -99.567576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.567576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.567576 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.103
local terms energy: -58.185735
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -81.883575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.883575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.883575 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.127
local terms energy: -48.369844
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -78.818505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818505 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -20.899
Base-Backbone interact. energy: -0.605
local terms energy: -49.276496
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -215.991649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.991649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.991649 (E_RNA)
where:
Base-Base interactions energy: -133.902
where: short stacking energy: -82.216
Base-Backbone interact. energy: -0.031
local terms energy: -82.058110
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -24.128
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: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -188.528556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.528556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.528556 (E_RNA)
where:
Base-Base interactions energy: -116.880
where: short stacking energy: -67.654
Base-Backbone interact. energy: -0.112
local terms energy: -71.535973
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -194.686048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.686048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.686048 (E_RNA)
where:
Base-Base interactions energy: -113.878
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.624
local terms energy: -80.184705
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -13.935
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: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -162.022207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.022207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.022207 (E_RNA)
where:
Base-Base interactions energy: -97.336
where: short stacking energy: -48.513
Base-Backbone interact. energy: -0.169
local terms energy: -64.517907
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.189
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: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -158.717123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.717123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.717123 (E_RNA)
where:
Base-Base interactions energy: -94.268
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.032
local terms energy: -64.416792
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -9.087
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: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -156.047523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.047523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.047523 (E_RNA)
where:
Base-Base interactions energy: -86.525
where: short stacking energy: -52.392
Base-Backbone interact. energy: 0.343
local terms energy: -69.865587
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -162.331596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.331596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.331596 (E_RNA)
where:
Base-Base interactions energy: -98.776
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.089
local terms energy: -63.466290
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -91.391908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.391908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.391908 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.171
local terms energy: -51.157769
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -2.474
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: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.897469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897469 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -33.167
Base-Backbone interact. energy: -0.363
local terms energy: -48.368135
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -78.974262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.974262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.974262 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -27.392
Base-Backbone interact. energy: 1.085
local terms energy: -47.080734
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -226.714463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.714463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.714463 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -79.423
Base-Backbone interact. energy: -0.001
local terms energy: -88.801463
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -207.341334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.341334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.341334 (E_RNA)
where:
Base-Base interactions energy: -130.029
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.078
local terms energy: -77.234619
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -203.110445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.110445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.110445 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -72.198
Base-Backbone interact. energy: -0.890
local terms energy: -77.823489
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -19.595
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: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -197.814604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.814604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.814604 (E_RNA)
where:
Base-Base interactions energy: -128.436
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.061
local terms energy: -69.317642
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -159.855763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.855763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.855763 (E_RNA)
where:
Base-Base interactions energy: -93.338
where: short stacking energy: -46.247
Base-Backbone interact. energy: -0.241
local terms energy: -66.277542
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -152.906046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.906046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.906046 (E_RNA)
where:
Base-Base interactions energy: -95.316
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.859
local terms energy: -56.730832
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -163.869215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.869215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.869215 (E_RNA)
where:
Base-Base interactions energy: -98.815
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.030
local terms energy: -65.024368
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -96.705689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.705689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.705689 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -33.975
Base-Backbone interact. energy: 0.574
local terms energy: -61.355238
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -93.492053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.492053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.492053 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -34.812
Base-Backbone interact. energy: 0.377
local terms energy: -58.629583
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -72.516061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.516061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.516061 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.327
local terms energy: -40.191568
where:
bonds (distance) C4'-P energy: -5.772
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -221.327500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.327500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.327500 (E_RNA)
where:
Base-Base interactions energy: -137.423
where: short stacking energy: -81.890
Base-Backbone interact. energy: -0.005
local terms energy: -83.899555
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -25.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -198.918145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.918145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.918145 (E_RNA)
where:
Base-Base interactions energy: -116.917
where: short stacking energy: -69.663
Base-Backbone interact. energy: -0.697
local terms energy: -81.303306
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -196.220878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.220878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.220878 (E_RNA)
where:
Base-Base interactions energy: -121.444
where: short stacking energy: -72.975
Base-Backbone interact. energy: -0.016
local terms energy: -74.761657
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -170.831240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.831240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.831240 (E_RNA)
where:
Base-Base interactions energy: -101.471
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.027
local terms energy: -69.332835
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -159.675047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.675047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.675047 (E_RNA)
where:
Base-Base interactions energy: -94.122
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.106
local terms energy: -65.447609
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -8.482
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: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -170.730308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.730308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.730308 (E_RNA)
where:
Base-Base interactions energy: -90.569
where: short stacking energy: -53.526
Base-Backbone interact. energy: 0.366
local terms energy: -80.526584
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -18.175
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: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -156.743079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.743079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.743079 (E_RNA)
where:
Base-Base interactions energy: -91.424
where: short stacking energy: -46.557
Base-Backbone interact. energy: 1.882
local terms energy: -67.200423
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -93.204190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.204190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.204190 (E_RNA)
where:
Base-Base interactions energy: -38.592
where: short stacking energy: -34.910
Base-Backbone interact. energy: -0.400
local terms energy: -54.212375
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -107.960622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.960622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.960622 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.031
local terms energy: -62.396362
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -80.887487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887487 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -36.430
Base-Backbone interact. energy: -0.250
local terms energy: -44.207532
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -7.993
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -6.320
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: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -222.484159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.484159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.484159 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -72.567
Base-Backbone interact. energy: -0.070
local terms energy: -88.627016
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -185.383789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.383789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.383789 (E_RNA)
where:
Base-Base interactions energy: -115.158
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.482
local terms energy: -69.743720
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -186.416804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.416804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.416804 (E_RNA)
where:
Base-Base interactions energy: -112.745
where: short stacking energy: -68.019
Base-Backbone interact. energy: 0.653
local terms energy: -74.323837
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -159.871035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.871035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.871035 (E_RNA)
where:
Base-Base interactions energy: -99.735
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.006
local terms energy: -60.130578
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -15.210
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: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -154.962311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.962311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.962311 (E_RNA)
where:
Base-Base interactions energy: -93.473
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.239
local terms energy: -61.250690
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -10.432
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: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -137.888738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.888738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.888738 (E_RNA)
where:
Base-Base interactions energy: -78.345
where: short stacking energy: -45.012
Base-Backbone interact. energy: 0.192
local terms energy: -59.735814
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -146.023551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.023551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.023551 (E_RNA)
where:
Base-Base interactions energy: -83.452
where: short stacking energy: -41.094
Base-Backbone interact. energy: 0.633
local terms energy: -63.204256
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -86.995822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.995822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.995822 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -26.844
Base-Backbone interact. energy: -0.251
local terms energy: -56.700448
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -94.662505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.662505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.662505 (E_RNA)
where:
Base-Base interactions energy: -39.134
where: short stacking energy: -38.976
Base-Backbone interact. energy: -0.478
local terms energy: -55.050190
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -91.160832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.160832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.160832 (E_RNA)
where:
Base-Base interactions energy: -47.005
where: short stacking energy: -43.325
Base-Backbone interact. energy: -0.072
local terms energy: -44.083267
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -5.163
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: 127
Temperature: 0.900000
Total energy: -212.356500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356500 (E_RNA)
where:
Base-Base interactions energy: -134.482
where: short stacking energy: -80.965
Base-Backbone interact. energy: -0.074
local terms energy: -77.799894
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -199.343515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.343515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.343515 (E_RNA)
where:
Base-Base interactions energy: -120.656
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.212
local terms energy: -78.475424
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -171.627622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.627622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.627622 (E_RNA)
where:
Base-Base interactions energy: -96.509
where: short stacking energy: -48.379
Base-Backbone interact. energy: -0.130
local terms energy: -74.989171
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -174.244625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.244625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.244625 (E_RNA)
where:
Base-Base interactions energy: -103.883
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.054
local terms energy: -70.307996
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -159.692813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.692813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.692813 (E_RNA)
where:
Base-Base interactions energy: -92.178
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.045
local terms energy: -67.469314
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -155.314474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.314474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.314474 (E_RNA)
where:
Base-Base interactions energy: -97.883
where: short stacking energy: -50.202
Base-Backbone interact. energy: -0.678
local terms energy: -56.753026
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -148.817936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.817936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.817936 (E_RNA)
where:
Base-Base interactions energy: -90.367
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.309
local terms energy: -58.142525
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -86.473146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473146 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -34.618
Base-Backbone interact. energy: 0.771
local terms energy: -52.626265
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.153
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: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -85.555450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.555450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.555450 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.148
local terms energy: -48.171914
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -71.487861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.487861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.487861 (E_RNA)
where:
Base-Base interactions energy: -20.327
where: short stacking energy: -20.010
Base-Backbone interact. energy: 1.562
local terms energy: -52.722703
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -215.779044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.779044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.779044 (E_RNA)
where:
Base-Base interactions energy: -127.513
where: short stacking energy: -76.561
Base-Backbone interact. energy: -0.021
local terms energy: -88.244643
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -192.284210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.284210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.284210 (E_RNA)
where:
Base-Base interactions energy: -120.084
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.009
local terms energy: -72.190876
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -200.539624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.539624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.539624 (E_RNA)
where:
Base-Base interactions energy: -124.667
where: short stacking energy: -73.114
Base-Backbone interact. energy: -0.025
local terms energy: -75.847768
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -169.977895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.977895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.977895 (E_RNA)
where:
Base-Base interactions energy: -103.480
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.075
local terms energy: -66.423341
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -163.049237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.049237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.049237 (E_RNA)
where:
Base-Base interactions energy: -86.923
where: short stacking energy: -48.388
Base-Backbone interact. energy: -0.090
local terms energy: -76.035646
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -154.328133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.328133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.328133 (E_RNA)
where:
Base-Base interactions energy: -89.774
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.205
local terms energy: -64.349157
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -148.242285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.242285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.242285 (E_RNA)
where:
Base-Base interactions energy: -88.581
where: short stacking energy: -48.764
Base-Backbone interact. energy: -0.171
local terms energy: -59.490327
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -93.923031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.923031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.923031 (E_RNA)
where:
Base-Base interactions energy: -36.942
where: short stacking energy: -36.942
Base-Backbone interact. energy: 1.093
local terms energy: -58.073894
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -82.513452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.513452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.513452 (E_RNA)
where:
Base-Base interactions energy: -30.205
where: short stacking energy: -30.205
Base-Backbone interact. energy: 0.830
local terms energy: -53.138395
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -86.779155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.779155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.779155 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.162
local terms energy: -54.986301
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -219.044320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.044320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.044320 (E_RNA)
where:
Base-Base interactions energy: -134.530
where: short stacking energy: -83.786
Base-Backbone interact. energy: -0.014
local terms energy: -84.499909
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -192.231080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.231080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.231080 (E_RNA)
where:
Base-Base interactions energy: -114.020
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.055
local terms energy: -78.155632
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -201.668677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.668677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.668677 (E_RNA)
where:
Base-Base interactions energy: -123.760
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.006
local terms energy: -77.902073
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -12.537
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: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -175.137478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.137478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.137478 (E_RNA)
where:
Base-Base interactions energy: -104.390
where: short stacking energy: -52.889
Base-Backbone interact. energy: -0.098
local terms energy: -70.648918
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -161.782170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.782170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.782170 (E_RNA)
where:
Base-Base interactions energy: -84.389
where: short stacking energy: -52.144
Base-Backbone interact. energy: -0.129
local terms energy: -77.264587
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -17.054
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: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -163.064137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.064137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.064137 (E_RNA)
where:
Base-Base interactions energy: -97.176
where: short stacking energy: -48.488
Base-Backbone interact. energy: -0.019
local terms energy: -65.870002
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -151.001521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.001521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.001521 (E_RNA)
where:
Base-Base interactions energy: -89.359
where: short stacking energy: -48.152
Base-Backbone interact. energy: 0.080
local terms energy: -61.721686
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -91.278617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.278617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.278617 (E_RNA)
where:
Base-Base interactions energy: -33.080
where: short stacking energy: -24.378
Base-Backbone interact. energy: -0.617
local terms energy: -57.581928
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -2.013
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: 129
Temperature: 1.300000
Total energy: -90.115792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.115792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.115792 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -28.679
Base-Backbone interact. energy: 1.396
local terms energy: -56.689367
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -2.622
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: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -87.395085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.395085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.395085 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -37.138
Base-Backbone interact. energy: -0.117
local terms energy: -50.140135
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -6.810
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: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -224.231052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.231052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.231052 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -84.489
Base-Backbone interact. energy: -0.006
local terms energy: -88.713141
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -26.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -190.273852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.273852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.273852 (E_RNA)
where:
Base-Base interactions energy: -115.278
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.004
local terms energy: -74.991832
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -193.817442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.817442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.817442 (E_RNA)
where:
Base-Base interactions energy: -117.452
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.009
local terms energy: -76.356576
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -163.899896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.899896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.899896 (E_RNA)
where:
Base-Base interactions energy: -91.307
where: short stacking energy: -54.296
Base-Backbone interact. energy: 0.087
local terms energy: -72.680158
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -169.907524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.907524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.907524 (E_RNA)
where:
Base-Base interactions energy: -108.417
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.206
local terms energy: -61.284378
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -150.644699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.644699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.644699 (E_RNA)
where:
Base-Base interactions energy: -89.827
where: short stacking energy: -49.617
Base-Backbone interact. energy: -0.942
local terms energy: -59.876212
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -158.434310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.434310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.434310 (E_RNA)
where:
Base-Base interactions energy: -90.235
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.058
local terms energy: -68.141976
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -82.625390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.625390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.625390 (E_RNA)
where:
Base-Base interactions energy: -33.924
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.297
local terms energy: -48.404390
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -2.452
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: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -85.350106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.350106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.350106 (E_RNA)
where:
Base-Base interactions energy: -29.765
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.027
local terms energy: -55.557840
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -1.755
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: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -69.453316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.453316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.453316 (E_RNA)
where:
Base-Base interactions energy: -22.021
where: short stacking energy: -23.265
Base-Backbone interact. energy: -0.793
local terms energy: -46.639226
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: 1.473
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: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -219.573135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.573135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.573135 (E_RNA)
where:
Base-Base interactions energy: -130.114
where: short stacking energy: -76.758
Base-Backbone interact. energy: -2.247
local terms energy: -87.211236
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -25.317
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: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -191.029171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.029171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029171 (E_RNA)
where:
Base-Base interactions energy: -120.723
where: short stacking energy: -64.872
Base-Backbone interact. energy: 0.734
local terms energy: -71.039811
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -15.008
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: 131
Temperature: 1.000000
Total energy: -203.335603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.335603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.335603 (E_RNA)
where:
Base-Base interactions energy: -123.632
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.124
local terms energy: -79.579968
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -161.193000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.193000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.193000 (E_RNA)
where:
Base-Base interactions energy: -94.697
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.018
local terms energy: -66.478267
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -167.980304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.980304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.980304 (E_RNA)
where:
Base-Base interactions energy: -98.119
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.037
local terms energy: -69.825037
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -156.121513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.121513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.121513 (E_RNA)
where:
Base-Base interactions energy: -89.934
where: short stacking energy: -47.014
Base-Backbone interact. energy: -0.124
local terms energy: -66.063899
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -150.056755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.056755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.056755 (E_RNA)
where:
Base-Base interactions energy: -86.862
where: short stacking energy: -52.029
Base-Backbone interact. energy: -0.296
local terms energy: -62.898267
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -95.328047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.328047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.328047 (E_RNA)
where:
Base-Base interactions energy: -37.805
where: short stacking energy: -37.046
Base-Backbone interact. energy: 0.338
local terms energy: -57.860754
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -11.392
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: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -89.005077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.005077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.005077 (E_RNA)
where:
Base-Base interactions energy: -35.992
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.151
local terms energy: -52.862419
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -109.742441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.742441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.742441 (E_RNA)
where:
Base-Base interactions energy: -59.871
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.568
local terms energy: -49.303427
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -9.915
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: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -184.305482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.305482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.305482 (E_RNA)
where:
Base-Base interactions energy: -110.365
where: short stacking energy: -55.461
Base-Backbone interact. energy: -0.013
local terms energy: -73.927634
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -213.303555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.303555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.303555 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -78.105
Base-Backbone interact. energy: -0.004
local terms energy: -79.543730
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -180.693120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.693120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.693120 (E_RNA)
where:
Base-Base interactions energy: -106.360
where: short stacking energy: -62.641
Base-Backbone interact. energy: -0.109
local terms energy: -74.224813
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -6.850
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -171.847294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.847294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.847294 (E_RNA)
where:
Base-Base interactions energy: -106.561
where: short stacking energy: -51.257
Base-Backbone interact. energy: -0.122
local terms energy: -65.164900
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -151.544366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.544366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.544366 (E_RNA)
where:
Base-Base interactions energy: -89.088
where: short stacking energy: -46.279
Base-Backbone interact. energy: -0.015
local terms energy: -62.441898
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -6.801
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: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -165.881134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.881134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.881134 (E_RNA)
where:
Base-Base interactions energy: -97.031
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.105
local terms energy: -68.744596
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -150.104119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.104119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.104119 (E_RNA)
where:
Base-Base interactions energy: -86.221
where: short stacking energy: -39.756
Base-Backbone interact. energy: -0.365
local terms energy: -63.518902
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -10.963
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -88.609298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609298 (E_RNA)
where:
Base-Base interactions energy: -32.788
where: short stacking energy: -30.847
Base-Backbone interact. energy: -0.268
local terms energy: -55.553458
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -108.425132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.425132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.425132 (E_RNA)
where:
Base-Base interactions energy: -58.196
where: short stacking energy: -28.669
Base-Backbone interact. energy: -0.398
local terms energy: -49.831811
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -7.737
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: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -81.093415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.093415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.093415 (E_RNA)
where:
Base-Base interactions energy: -30.185
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.124
local terms energy: -50.783742
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -198.115814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.115814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.115814 (E_RNA)
where:
Base-Base interactions energy: -124.807
where: short stacking energy: -72.457
Base-Backbone interact. energy: -0.017
local terms energy: -73.292063
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.457
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: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -204.775445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.775445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.775445 (E_RNA)
where:
Base-Base interactions energy: -125.252
where: short stacking energy: -75.853
Base-Backbone interact. energy: -1.056
local terms energy: -78.466711
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -209.919771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.919771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.919771 (E_RNA)
where:
Base-Base interactions energy: -128.655
where: short stacking energy: -79.405
Base-Backbone interact. energy: -0.001
local terms energy: -81.263869
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -9.739
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: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -171.791970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.791970 (E_RNA)
where:
Base-Base interactions energy: -105.904
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.577
local terms energy: -65.311080
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -13.141
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: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -155.987446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.987446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.987446 (E_RNA)
where:
Base-Base interactions energy: -94.513
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.126
local terms energy: -61.347826
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -10.312
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: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -165.664077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.664077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.664077 (E_RNA)
where:
Base-Base interactions energy: -97.638
where: short stacking energy: -54.177
Base-Backbone interact. energy: -0.063
local terms energy: -67.962891
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -154.933287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.933287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.933287 (E_RNA)
where:
Base-Base interactions energy: -93.139
where: short stacking energy: -37.967
Base-Backbone interact. energy: -0.089
local terms energy: -61.704828
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -88.724606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.724606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.724606 (E_RNA)
where:
Base-Base interactions energy: -33.849
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.461
local terms energy: -54.414719
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -90.659865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.659865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.659865 (E_RNA)
where:
Base-Base interactions energy: -40.689
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.704
local terms energy: -49.266965
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -6.240
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -76.987476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.987476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.987476 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -31.048
Base-Backbone interact. energy: -0.175
local terms energy: -45.765097
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -6.318
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -209.717449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.717449 (E_RNA)
where:
Base-Base interactions energy: -128.008
where: short stacking energy: -71.718
Base-Backbone interact. energy: -0.282
local terms energy: -81.427897
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.674
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: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -193.927537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.927537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.927537 (E_RNA)
where:
Base-Base interactions energy: -111.216
where: short stacking energy: -58.393
Base-Backbone interact. energy: 0.316
local terms energy: -83.028101
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -193.942469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942469 (E_RNA)
where:
Base-Base interactions energy: -121.158
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.175
local terms energy: -72.608901
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -20.325
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: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -163.921457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.921457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.921457 (E_RNA)
where:
Base-Base interactions energy: -93.266
where: short stacking energy: -50.648
Base-Backbone interact. energy: -0.134
local terms energy: -70.521185
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -10.770
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: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -151.889992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.889992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.889992 (E_RNA)
where:
Base-Base interactions energy: -88.576
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.109
local terms energy: -63.205067
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -163.031529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.031529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.031529 (E_RNA)
where:
Base-Base interactions energy: -93.550
where: short stacking energy: -54.134
Base-Backbone interact. energy: -0.047
local terms energy: -69.434652
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.145
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: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -134.560065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.560065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.560065 (E_RNA)
where:
Base-Base interactions energy: -71.247
where: short stacking energy: -34.268
Base-Backbone interact. energy: -0.192
local terms energy: -63.120296
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -108.543862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.543862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.543862 (E_RNA)
where:
Base-Base interactions energy: -54.118
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.250
local terms energy: -54.175477
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -4.168
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: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -92.912002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.912002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.912002 (E_RNA)
where:
Base-Base interactions energy: -30.258
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.152
local terms energy: -62.501551
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -9.279
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: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -78.146455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.146455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.146455 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -29.820
Base-Backbone interact. energy: 0.844
local terms energy: -47.329863
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -217.661672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.661672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.661672 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -78.516
Base-Backbone interact. energy: -2.985
local terms energy: -82.723198
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -23.183
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -186.660719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.660719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.660719 (E_RNA)
where:
Base-Base interactions energy: -114.010
where: short stacking energy: -64.424
Base-Backbone interact. energy: 0.481
local terms energy: -73.131734
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -17.860
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: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -166.092406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.092406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.092406 (E_RNA)
where:
Base-Base interactions energy: -99.655
where: short stacking energy: -49.529
Base-Backbone interact. energy: -0.652
local terms energy: -65.785448
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -7.396
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: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -160.446843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.446843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.446843 (E_RNA)
where:
Base-Base interactions energy: -88.840
where: short stacking energy: -54.178
Base-Backbone interact. energy: 0.264
local terms energy: -71.870802
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.738
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: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -158.044540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044540 (E_RNA)
where:
Base-Base interactions energy: -94.940
where: short stacking energy: -42.462
Base-Backbone interact. energy: -0.128
local terms energy: -62.977213
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -11.979
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: 135
Temperature: 1.150000
Total energy: -162.554261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.554261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.554261 (E_RNA)
where:
Base-Base interactions energy: -96.403
where: short stacking energy: -57.562
Base-Backbone interact. energy: -0.214
local terms energy: -65.937341
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -159.957611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.957611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.957611 (E_RNA)
where:
Base-Base interactions energy: -93.578
where: short stacking energy: -50.586
Base-Backbone interact. energy: -0.335
local terms energy: -66.044418
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -106.315273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.315273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.315273 (E_RNA)
where:
Base-Base interactions energy: -53.930
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.573
local terms energy: -51.812209
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -84.827900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.827900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.827900 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -26.586
Base-Backbone interact. energy: 0.055
local terms energy: -52.810451
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -67.337345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.337345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.337345 (E_RNA)
where:
Base-Base interactions energy: -23.717
where: short stacking energy: -20.144
Base-Backbone interact. energy: -0.302
local terms energy: -43.318691
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -1.393
tors. eta vs tors. theta energy: 2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -199.476088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.476088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.476088 (E_RNA)
where:
Base-Base interactions energy: -123.130
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.016
local terms energy: -76.330414
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -18.323
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: 136
Temperature: 0.950000
Total energy: -202.703008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.703008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.703008 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -73.131
Base-Backbone interact. energy: -0.014
local terms energy: -74.185303
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -187.198176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.198176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.198176 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -71.771
Base-Backbone interact. energy: -2.244
local terms energy: -74.065068
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -174.389321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.389321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.389321 (E_RNA)
where:
Base-Base interactions energy: -100.608
where: short stacking energy: -57.710
Base-Backbone interact. energy: 3.701
local terms energy: -77.482571
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -17.255
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: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -171.151167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.151167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.151167 (E_RNA)
where:
Base-Base interactions energy: -105.219
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.106
local terms energy: -65.825921
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -13.606
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: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -149.054523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.054523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.054523 (E_RNA)
where:
Base-Base interactions energy: -82.036
where: short stacking energy: -43.760
Base-Backbone interact. energy: 0.805
local terms energy: -67.823648
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -143.149106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.149106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.149106 (E_RNA)
where:
Base-Base interactions energy: -85.147
where: short stacking energy: -48.164
Base-Backbone interact. energy: -1.046
local terms energy: -56.956717
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.810
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: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -93.211116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.211116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.211116 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.021
local terms energy: -61.662681
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -6.554
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: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -79.474455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.474455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.474455 (E_RNA)
where:
Base-Base interactions energy: -27.462
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.082
local terms energy: -51.930227
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -75.650976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.650976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.650976 (E_RNA)
where:
Base-Base interactions energy: -24.438
where: short stacking energy: -24.438
Base-Backbone interact. energy: 1.284
local terms energy: -52.497324
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -193.401307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.401307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.401307 (E_RNA)
where:
Base-Base interactions energy: -120.508
where: short stacking energy: -63.009
Base-Backbone interact. energy: -0.001
local terms energy: -72.892116
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -197.926997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.926997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.926997 (E_RNA)
where:
Base-Base interactions energy: -119.665
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.012
local terms energy: -78.250080
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -170.126825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.126825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.126825 (E_RNA)
where:
Base-Base interactions energy: -101.638
where: short stacking energy: -53.326
Base-Backbone interact. energy: -0.123
local terms energy: -68.365744
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -10.796
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: 137
Temperature: 1.050000
Total energy: -171.395001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.395001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.395001 (E_RNA)
where:
Base-Base interactions energy: -103.765
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.181
local terms energy: -67.449128
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -158.231563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.231563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.231563 (E_RNA)
where:
Base-Base interactions energy: -89.766
where: short stacking energy: -48.345
Base-Backbone interact. energy: -0.195
local terms energy: -68.270264
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -174.416343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.416343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.416343 (E_RNA)
where:
Base-Base interactions energy: -103.979
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.080
local terms energy: -70.357070
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -16.992
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: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -165.150359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.150359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.150359 (E_RNA)
where:
Base-Base interactions energy: -94.306
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.482
local terms energy: -70.362583
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -98.691176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.691176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.691176 (E_RNA)
where:
Base-Base interactions energy: -54.211
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.055
local terms energy: -44.424687
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -5.806
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: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -86.098333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.098333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.098333 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -28.599
Base-Backbone interact. energy: -0.207
local terms energy: -54.964704
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -102.575055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.575055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.575055 (E_RNA)
where:
Base-Base interactions energy: -53.919
where: short stacking energy: -32.725
Base-Backbone interact. energy: 0.132
local terms energy: -48.787769
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -5.287
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: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -200.880927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.880927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.880927 (E_RNA)
where:
Base-Base interactions energy: -123.142
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.010
local terms energy: -77.729011
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -189.595728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.595728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.595728 (E_RNA)
where:
Base-Base interactions energy: -116.144
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.052
local terms energy: -73.399705
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -16.044
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: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -185.774508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.774508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.774508 (E_RNA)
where:
Base-Base interactions energy: -114.005
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.005
local terms energy: -71.764671
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -181.362507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.362507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.362507 (E_RNA)
where:
Base-Base interactions energy: -105.368
where: short stacking energy: -52.484
Base-Backbone interact. energy: -0.024
local terms energy: -75.969728
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -11.413
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: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -165.646359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.646359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.646359 (E_RNA)
where:
Base-Base interactions energy: -95.282
where: short stacking energy: -51.596
Base-Backbone interact. energy: -0.131
local terms energy: -70.233663
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -158.927276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.927276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.927276 (E_RNA)
where:
Base-Base interactions energy: -95.418
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.060
local terms energy: -63.449092
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -112.926688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.926688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.926688 (E_RNA)
where:
Base-Base interactions energy: -45.956
where: short stacking energy: -24.031
Base-Backbone interact. energy: 0.182
local terms energy: -67.153053
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -160.826456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.826456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.826456 (E_RNA)
where:
Base-Base interactions energy: -94.648
where: short stacking energy: -52.660
Base-Backbone interact. energy: 0.298
local terms energy: -66.476104
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -88.788502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.788502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.788502 (E_RNA)
where:
Base-Base interactions energy: -39.542
where: short stacking energy: -31.519
Base-Backbone interact. energy: -0.043
local terms energy: -49.203179
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -80.492057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.492057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.492057 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -24.986
Base-Backbone interact. energy: 0.733
local terms energy: -52.327676
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -216.124325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.124325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.124325 (E_RNA)
where:
Base-Base interactions energy: -132.468
where: short stacking energy: -78.830
Base-Backbone interact. energy: -2.174
local terms energy: -81.482984
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -22.960
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -202.459459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.459459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.459459 (E_RNA)
where:
Base-Base interactions energy: -120.422
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.005
local terms energy: -82.032152
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -193.460256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.460256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.460256 (E_RNA)
where:
Base-Base interactions energy: -114.543
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.001
local terms energy: -78.917032
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -180.356661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.356661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.356661 (E_RNA)
where:
Base-Base interactions energy: -102.668
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.964
local terms energy: -76.723854
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -15.023
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -164.683677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.683677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.683677 (E_RNA)
where:
Base-Base interactions energy: -102.943
where: short stacking energy: -54.464
Base-Backbone interact. energy: -0.171
local terms energy: -61.569977
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -167.319231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.319231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.319231 (E_RNA)
where:
Base-Base interactions energy: -103.138
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.050
local terms energy: -64.131872
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.484
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: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -97.007140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.007140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.007140 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.213
local terms energy: -60.133023
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -87.974554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974554 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -29.401
Base-Backbone interact. energy: 0.006
local terms energy: -58.578902
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -138.031295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.031295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.031295 (E_RNA)
where:
Base-Base interactions energy: -76.045
where: short stacking energy: -42.259
Base-Backbone interact. energy: -0.237
local terms energy: -61.750055
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -85.659290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659290 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -43.612
Base-Backbone interact. energy: -0.124
local terms energy: -41.923635
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -6.164
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -204.969530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.969530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.969530 (E_RNA)
where:
Base-Base interactions energy: -124.922
where: short stacking energy: -71.476
Base-Backbone interact. energy: -0.029
local terms energy: -80.017670
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -213.993702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.993702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.993702 (E_RNA)
where:
Base-Base interactions energy: -133.451
where: short stacking energy: -79.735
Base-Backbone interact. energy: -0.059
local terms energy: -80.483289
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -21.396
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: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -195.657606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.657606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.657606 (E_RNA)
where:
Base-Base interactions energy: -116.768
where: short stacking energy: -67.452
Base-Backbone interact. energy: 0.844
local terms energy: -79.733523
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -171.538713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.538713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.538713 (E_RNA)
where:
Base-Base interactions energy: -96.639
where: short stacking energy: -53.302
Base-Backbone interact. energy: 0.521
local terms energy: -75.421364
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -18.580
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: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -169.802643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.802643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.802643 (E_RNA)
where:
Base-Base interactions energy: -103.454
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.131
local terms energy: -66.217561
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -160.039877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.039877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.039877 (E_RNA)
where:
Base-Base interactions energy: -97.521
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.500
local terms energy: -62.019272
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -104.348634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.348634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.348634 (E_RNA)
where:
Base-Base interactions energy: -44.586
where: short stacking energy: -32.167
Base-Backbone interact. energy: -0.390
local terms energy: -59.372942
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -99.034455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.034455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.034455 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -43.206
Base-Backbone interact. energy: -0.169
local terms energy: -55.659121
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -92.246533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.246533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.246533 (E_RNA)
where:
Base-Base interactions energy: -46.597
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.096
local terms energy: -45.553278
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -3.888
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -86.863570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.863570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.863570 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -16.278
Base-Backbone interact. energy: -0.318
local terms energy: -48.229775
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -202.593401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.593401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.593401 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.001
local terms energy: -76.460799
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -209.422334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.422334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.422334 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -79.863
Base-Backbone interact. energy: -0.069
local terms energy: -75.337201
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -190.610859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.610859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.610859 (E_RNA)
where:
Base-Base interactions energy: -121.094
where: short stacking energy: -75.115
Base-Backbone interact. energy: 1.431
local terms energy: -70.948768
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -161.927716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.927716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.927716 (E_RNA)
where:
Base-Base interactions energy: -94.737
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.089
local terms energy: -67.101886
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -158.329119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.329119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.329119 (E_RNA)
where:
Base-Base interactions energy: -93.145
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.244
local terms energy: -64.940027
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -153.357550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.357550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.357550 (E_RNA)
where:
Base-Base interactions energy: -91.026
where: short stacking energy: -46.812
Base-Backbone interact. energy: -0.214
local terms energy: -62.117568
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -7.784
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: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -87.733937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733937 (E_RNA)
where:
Base-Base interactions energy: -31.989
where: short stacking energy: -26.877
Base-Backbone interact. energy: -0.007
local terms energy: -55.738321
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -0.991
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -88.197610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197610 (E_RNA)
where:
Base-Base interactions energy: -31.935
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.336
local terms energy: -55.926988
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -90.124147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124147 (E_RNA)
where:
Base-Base interactions energy: -41.204
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.048
local terms energy: -48.872901
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -92.272813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.272813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.272813 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -39.012
Base-Backbone interact. energy: -0.155
local terms energy: -53.106387
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -221.134664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.134664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.134664 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -84.546
Base-Backbone interact. energy: -0.014
local terms energy: -84.665409
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -197.510748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.510748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.510748 (E_RNA)
where:
Base-Base interactions energy: -118.744
where: short stacking energy: -68.777
Base-Backbone interact. energy: -0.065
local terms energy: -78.701709
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -184.264050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.264050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.264050 (E_RNA)
where:
Base-Base interactions energy: -105.270
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.011
local terms energy: -78.982673
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -190.776321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.776321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.776321 (E_RNA)
where:
Base-Base interactions energy: -116.074
where: short stacking energy: -68.856
Base-Backbone interact. energy: -0.115
local terms energy: -74.587166
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -153.460580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.460580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.460580 (E_RNA)
where:
Base-Base interactions energy: -85.333
where: short stacking energy: -50.279
Base-Backbone interact. energy: -0.002
local terms energy: -68.125655
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -162.513552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.513552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.513552 (E_RNA)
where:
Base-Base interactions energy: -98.594
where: short stacking energy: -45.165
Base-Backbone interact. energy: -0.129
local terms energy: -63.790620
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.229
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -100.222326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.222326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.222326 (E_RNA)
where:
Base-Base interactions energy: -35.002
where: short stacking energy: -35.002
Base-Backbone interact. energy: -0.165
local terms energy: -65.055200
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -84.370813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.370813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.370813 (E_RNA)
where:
Base-Base interactions energy: -34.018
where: short stacking energy: -29.521
Base-Backbone interact. energy: 0.154
local terms energy: -50.507325
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -5.134
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: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -97.604204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.604204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.604204 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -39.605
Base-Backbone interact. energy: -0.010
local terms energy: -54.541426
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -84.841410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.841410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.841410 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.394
local terms energy: -54.259432
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -222.534996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.534996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.534996 (E_RNA)
where:
Base-Base interactions energy: -136.152
where: short stacking energy: -83.251
Base-Backbone interact. energy: -0.080
local terms energy: -86.302902
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -10.926
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: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -192.398525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.398525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.398525 (E_RNA)
where:
Base-Base interactions energy: -112.251
where: short stacking energy: -71.843
Base-Backbone interact. energy: -1.440
local terms energy: -78.707570
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -176.119072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.119072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.119072 (E_RNA)
where:
Base-Base interactions energy: -102.622
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.207
local terms energy: -73.290710
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -159.717419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.717419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.717419 (E_RNA)
where:
Base-Base interactions energy: -88.420
where: short stacking energy: -50.412
Base-Backbone interact. energy: -0.171
local terms energy: -71.126642
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -6.903
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: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -176.608429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.608429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.608429 (E_RNA)
where:
Base-Base interactions energy: -103.162
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.852
local terms energy: -72.594237
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -8.328
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: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -98.967519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.967519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.967519 (E_RNA)
where:
Base-Base interactions energy: -38.743
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.016
local terms energy: -60.208589
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -6.062
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: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -151.195669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.195669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.195669 (E_RNA)
where:
Base-Base interactions energy: -96.476
where: short stacking energy: -53.827
Base-Backbone interact. energy: -0.037
local terms energy: -54.682747
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -85.490008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.490008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.490008 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.073
local terms energy: -47.316059
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -81.826127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.826127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.826127 (E_RNA)
where:
Base-Base interactions energy: -32.546
where: short stacking energy: -26.593
Base-Backbone interact. energy: -0.108
local terms energy: -49.171882
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -2.801
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -77.728184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.728184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.728184 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.076
local terms energy: -42.663353
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: 2.085
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -213.301690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.301690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.301690 (E_RNA)
where:
Base-Base interactions energy: -128.825
where: short stacking energy: -79.788
Base-Backbone interact. energy: -0.053
local terms energy: -84.424401
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -13.403
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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -174.821353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.821353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.821353 (E_RNA)
where:
Base-Base interactions energy: -102.660
where: short stacking energy: -61.273
Base-Backbone interact. energy: -0.001
local terms energy: -72.160910
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -180.736127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.736127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.736127 (E_RNA)
where:
Base-Base interactions energy: -109.744
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.013
local terms energy: -70.979406
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -9.676
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: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -172.350057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.350057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.350057 (E_RNA)
where:
Base-Base interactions energy: -103.448
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.224
local terms energy: -68.678470
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -182.689990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.689990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.689990 (E_RNA)
where:
Base-Base interactions energy: -108.331
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.047
local terms energy: -74.312250
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -123.059163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.059163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.059163 (E_RNA)
where:
Base-Base interactions energy: -56.029
where: short stacking energy: -34.259
Base-Backbone interact. energy: -0.536
local terms energy: -66.493551
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -6.305
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: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -146.088527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.088527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.088527 (E_RNA)
where:
Base-Base interactions energy: -83.066
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.809
local terms energy: -62.212765
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -87.077649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.077649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.077649 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -32.587
Base-Backbone interact. energy: -0.172
local terms energy: -54.318731
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -5.066
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: 144
Temperature: 1.300000
Total energy: -93.571507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.571507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.571507 (E_RNA)
where:
Base-Base interactions energy: -37.514
where: short stacking energy: -37.514
Base-Backbone interact. energy: -0.013
local terms energy: -56.044215
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -10.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -76.800784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.800784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.800784 (E_RNA)
where:
Base-Base interactions energy: -30.801
where: short stacking energy: -30.801
Base-Backbone interact. energy: -0.051
local terms energy: -45.949351
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -6.672
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -214.665870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.665870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.665870 (E_RNA)
where:
Base-Base interactions energy: -127.772
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.003
local terms energy: -86.890592
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -22.342
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: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -186.558622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.558622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.558622 (E_RNA)
where:
Base-Base interactions energy: -111.059
where: short stacking energy: -55.537
Base-Backbone interact. energy: 0.129
local terms energy: -75.628581
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -170.672281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.672281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.672281 (E_RNA)
where:
Base-Base interactions energy: -96.164
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.228
local terms energy: -74.279740
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -191.961282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.961282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.961282 (E_RNA)
where:
Base-Base interactions energy: -125.376
where: short stacking energy: -65.682
Base-Backbone interact. energy: -0.060
local terms energy: -66.524716
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -1.821
tors. eta vs tors. theta energy: -21.156
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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -150.203289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.203289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.203289 (E_RNA)
where:
Base-Base interactions energy: -82.186
where: short stacking energy: -45.215
Base-Backbone interact. energy: -0.114
local terms energy: -67.903901
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -156.061508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.061508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.061508 (E_RNA)
where:
Base-Base interactions energy: -90.094
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.422
local terms energy: -65.545422
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -97.041172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.041172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.041172 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.055
local terms energy: -61.115843
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -91.874558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.874558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.874558 (E_RNA)
where:
Base-Base interactions energy: -31.046
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.206
local terms energy: -60.622481
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -82.422064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.422064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.422064 (E_RNA)
where:
Base-Base interactions energy: -35.559
where: short stacking energy: -35.559
Base-Backbone interact. energy: -0.131
local terms energy: -46.731849
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -2.080
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: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -74.082761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.082761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.082761 (E_RNA)
where:
Base-Base interactions energy: -20.279
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.319
local terms energy: -53.484084
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -13.450
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: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -207.681714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.681714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.681714 (E_RNA)
where:
Base-Base interactions energy: -129.376
where: short stacking energy: -74.845
Base-Backbone interact. energy: -0.245
local terms energy: -78.060997
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -187.141627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.141627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.141627 (E_RNA)
where:
Base-Base interactions energy: -115.539
where: short stacking energy: -66.760
Base-Backbone interact. energy: -0.001
local terms energy: -71.601765
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -193.664972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.664972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.664972 (E_RNA)
where:
Base-Base interactions energy: -118.492
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.004
local terms energy: -75.168533
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -14.844
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: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -169.508613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.508613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.508613 (E_RNA)
where:
Base-Base interactions energy: -104.249
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.062
local terms energy: -65.196744
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -167.700072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.700072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.700072 (E_RNA)
where:
Base-Base interactions energy: -104.123
where: short stacking energy: -52.815
Base-Backbone interact. energy: 0.003
local terms energy: -63.580092
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -12.818
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: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -151.086503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.086503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.086503 (E_RNA)
where:
Base-Base interactions energy: -90.799
where: short stacking energy: -51.775
Base-Backbone interact. energy: -2.054
local terms energy: -58.233849
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -11.048
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -117.669013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.669013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.669013 (E_RNA)
where:
Base-Base interactions energy: -56.714
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.092
local terms energy: -60.862932
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -96.700745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.700745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.700745 (E_RNA)
where:
Base-Base interactions energy: -45.597
where: short stacking energy: -45.997
Base-Backbone interact. energy: 0.195
local terms energy: -51.298603
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -7.871
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -86.638483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.638483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.638483 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -24.682
Base-Backbone interact. energy: -0.336
local terms energy: -52.938373
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -78.976168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976168 (E_RNA)
where:
Base-Base interactions energy: -29.944
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.019
local terms energy: -49.012654
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -2.837
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -203.749802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.749802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.749802 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.039
local terms energy: -70.968954
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -16.334
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: 147
Temperature: 0.950000
Total energy: -202.197324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.197324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.197324 (E_RNA)
where:
Base-Base interactions energy: -125.232
where: short stacking energy: -71.498
Base-Backbone interact. energy: 0.235
local terms energy: -77.200965
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -187.188507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.188507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.188507 (E_RNA)
where:
Base-Base interactions energy: -112.204
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.018
local terms energy: -74.966843
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -19.493
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: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -175.649501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.649501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.649501 (E_RNA)
where:
Base-Base interactions energy: -96.856
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.009
local terms energy: -78.784598
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -175.860667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.860667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.860667 (E_RNA)
where:
Base-Base interactions energy: -108.727
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.004
local terms energy: -67.129642
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.195
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: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -159.226195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.226195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.226195 (E_RNA)
where:
Base-Base interactions energy: -90.675
where: short stacking energy: -50.725
Base-Backbone interact. energy: -0.034
local terms energy: -68.517400
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -99.198719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.198719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.198719 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -39.180
Base-Backbone interact. energy: -0.066
local terms energy: -59.953400
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -94.209304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.209304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.209304 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -40.985
Base-Backbone interact. energy: -0.013
local terms energy: -53.510214
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -10.331
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: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -85.213775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.213775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.213775 (E_RNA)
where:
Base-Base interactions energy: -33.206
where: short stacking energy: -29.221
Base-Backbone interact. energy: 0.424
local terms energy: -52.431860
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -77.303288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.303288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.303288 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.172
local terms energy: -45.528134
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -1.085
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -215.692871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.692871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.692871 (E_RNA)
where:
Base-Base interactions energy: -133.050
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.015
local terms energy: -82.627882
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -12.166
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: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -205.908211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.908211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.908211 (E_RNA)
where:
Base-Base interactions energy: -124.021
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.037
local terms energy: -81.850935
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -182.013348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.013348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.013348 (E_RNA)
where:
Base-Base interactions energy: -110.510
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.034
local terms energy: -71.469224
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -19.503
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -159.872171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.872171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.872171 (E_RNA)
where:
Base-Base interactions energy: -92.095
where: short stacking energy: -52.877
Base-Backbone interact. energy: -0.071
local terms energy: -67.706921
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -169.573054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.573054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.573054 (E_RNA)
where:
Base-Base interactions energy: -99.682
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.023
local terms energy: -69.868248
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -140.574511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.574511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.574511 (E_RNA)
where:
Base-Base interactions energy: -73.718
where: short stacking energy: -42.459
Base-Backbone interact. energy: 0.854
local terms energy: -67.710126
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -107.737554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.737554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.737554 (E_RNA)
where:
Base-Base interactions energy: -46.753
where: short stacking energy: -41.868
Base-Backbone interact. energy: -0.203
local terms energy: -60.781125
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -92.351740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.351740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.351740 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -36.668
Base-Backbone interact. energy: -0.984
local terms energy: -51.557591
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -85.617921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.617921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.617921 (E_RNA)
where:
Base-Base interactions energy: -38.762
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.206
local terms energy: -46.649745
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -74.616297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.616297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.616297 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -17.839
Base-Backbone interact. energy: 0.340
local terms energy: -46.259780
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -228.219849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.219849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.219849 (E_RNA)
where:
Base-Base interactions energy: -146.041
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.040
local terms energy: -82.138695
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -202.152575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.152575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.152575 (E_RNA)
where:
Base-Base interactions energy: -127.317
where: short stacking energy: -70.377
Base-Backbone interact. energy: -0.045
local terms energy: -74.790379
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.835
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: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -189.032844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.032844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.032844 (E_RNA)
where:
Base-Base interactions energy: -109.396
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.018
local terms energy: -79.618465
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -18.436
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: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -172.097714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.097714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.097714 (E_RNA)
where:
Base-Base interactions energy: -97.462
where: short stacking energy: -38.396
Base-Backbone interact. energy: -0.123
local terms energy: -74.512633
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -154.917450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.917450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.917450 (E_RNA)
where:
Base-Base interactions energy: -85.900
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.080
local terms energy: -68.937490
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -10.172
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: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -131.807955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.807955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.807955 (E_RNA)
where:
Base-Base interactions energy: -68.998
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.150
local terms energy: -62.659832
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -96.358562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.358562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.358562 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -32.853
Base-Backbone interact. energy: -0.155
local terms energy: -63.351082
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.433
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: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -107.597456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.597456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.597456 (E_RNA)
where:
Base-Base interactions energy: -46.190
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.003
local terms energy: -61.404822
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.762193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762193 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.119
local terms energy: -57.770642
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -96.324155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.324155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.324155 (E_RNA)
where:
Base-Base interactions energy: -40.862
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.406
local terms energy: -55.056458
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -215.065026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.065026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.065026 (E_RNA)
where:
Base-Base interactions energy: -134.251
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.050
local terms energy: -80.764349
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -197.232047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.232047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.232047 (E_RNA)
where:
Base-Base interactions energy: -125.257
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.320
local terms energy: -71.655277
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -18.136
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: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -190.921467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.921467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.921467 (E_RNA)
where:
Base-Base interactions energy: -116.530
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.072
local terms energy: -74.318959
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -181.076719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.076719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.076719 (E_RNA)
where:
Base-Base interactions energy: -110.551
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.090
local terms energy: -70.435649
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -17.155
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: 150
Temperature: 1.100000
Total energy: -164.481341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.481341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.481341 (E_RNA)
where:
Base-Base interactions energy: -93.888
where: short stacking energy: -52.277
Base-Backbone interact. energy: -0.431
local terms energy: -70.162086
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -8.663
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: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -143.490780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.490780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.490780 (E_RNA)
where:
Base-Base interactions energy: -92.643
where: short stacking energy: -52.320
Base-Backbone interact. energy: -0.138
local terms energy: -50.709098
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -8.231
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: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -103.946290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.946290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.946290 (E_RNA)
where:
Base-Base interactions energy: -37.988
where: short stacking energy: -37.988
Base-Backbone interact. energy: -0.093
local terms energy: -65.865351
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -100.676835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.676835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.676835 (E_RNA)
where:
Base-Base interactions energy: -58.056
where: short stacking energy: -25.271
Base-Backbone interact. energy: 0.262
local terms energy: -42.882578
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -87.104850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.104850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.104850 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.209
local terms energy: -60.623764
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -83.970424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.970424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.970424 (E_RNA)
where:
Base-Base interactions energy: -27.879
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.168
local terms energy: -55.923746
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -214.374960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.374960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.374960 (E_RNA)
where:
Base-Base interactions energy: -133.664
where: short stacking energy: -73.866
Base-Backbone interact. energy: 0.539
local terms energy: -81.250148
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -185.211856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.211856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211856 (E_RNA)
where:
Base-Base interactions energy: -113.875
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.099
local terms energy: -71.237488
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -191.775442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.775442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.775442 (E_RNA)
where:
Base-Base interactions energy: -125.998
where: short stacking energy: -70.702
Base-Backbone interact. energy: 0.253
local terms energy: -66.029794
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -164.437384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.437384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.437384 (E_RNA)
where:
Base-Base interactions energy: -98.061
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.078
local terms energy: -66.297902
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -162.745917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.745917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.745917 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.103
local terms energy: -67.579959
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -136.884745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.884745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.884745 (E_RNA)
where:
Base-Base interactions energy: -73.850
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.272
local terms energy: -62.763168
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -116.117320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.117320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.117320 (E_RNA)
where:
Base-Base interactions energy: -65.845
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.118
local terms energy: -50.153807
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -0.997
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -85.616825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.616825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.616825 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -35.399
Base-Backbone interact. energy: -0.013
local terms energy: -50.204051
where:
bonds (distance) C4'-P energy: -7.629
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -7.678
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -12.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -99.390017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.390017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.390017 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -39.192
Base-Backbone interact. energy: -0.002
local terms energy: -60.196663
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -71.003909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.003909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.003909 (E_RNA)
where:
Base-Base interactions energy: -27.046
where: short stacking energy: -23.169
Base-Backbone interact. energy: -0.377
local terms energy: -43.581032
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: 3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -210.415913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.415913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.415913 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -74.696
Base-Backbone interact. energy: -0.009
local terms energy: -78.324120
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -185.222927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.222927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.222927 (E_RNA)
where:
Base-Base interactions energy: -101.948
where: short stacking energy: -64.153
Base-Backbone interact. energy: 0.355
local terms energy: -83.629423
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -201.424422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.424422 (E_RNA)
where:
Base-Base interactions energy: -121.552
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.176
local terms energy: -79.696904
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -158.234834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.234834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.234834 (E_RNA)
where:
Base-Base interactions energy: -94.289
where: short stacking energy: -49.999
Base-Backbone interact. energy: -0.055
local terms energy: -63.890720
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -147.697715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.697715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.697715 (E_RNA)
where:
Base-Base interactions energy: -80.443
where: short stacking energy: -50.448
Base-Backbone interact. energy: 0.930
local terms energy: -68.184895
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -163.109823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.109823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.109823 (E_RNA)
where:
Base-Base interactions energy: -101.078
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.088
local terms energy: -61.943745
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -5.848
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: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -108.788048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.788048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.788048 (E_RNA)
where:
Base-Base interactions energy: -43.106
where: short stacking energy: -43.106
Base-Backbone interact. energy: 0.804
local terms energy: -66.485952
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -84.863762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863762 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.124
local terms energy: -54.382841
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -82.042368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.042368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.042368 (E_RNA)
where:
Base-Base interactions energy: -38.473
where: short stacking energy: -28.338
Base-Backbone interact. energy: 1.324
local terms energy: -44.892936
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -8.354
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: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -87.450836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.450836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.450836 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -28.268
Base-Backbone interact. energy: 0.406
local terms energy: -48.877997
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -199.677395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.677395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.677395 (E_RNA)
where:
Base-Base interactions energy: -115.630
where: short stacking energy: -69.157
Base-Backbone interact. energy: 0.967
local terms energy: -85.014273
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -200.562052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.562052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.562052 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.005
local terms energy: -70.409391
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -182.942410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.942410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.942410 (E_RNA)
where:
Base-Base interactions energy: -107.219
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.115
local terms energy: -75.608260
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.103
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: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -179.020042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.020042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.020042 (E_RNA)
where:
Base-Base interactions energy: -108.253
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.589
local terms energy: -70.178274
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -16.558
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -148.093813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.093813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.093813 (E_RNA)
where:
Base-Base interactions energy: -93.181
where: short stacking energy: -45.417
Base-Backbone interact. energy: -0.116
local terms energy: -54.796781
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -120.246582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.246582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.246582 (E_RNA)
where:
Base-Base interactions energy: -65.015
where: short stacking energy: -40.620
Base-Backbone interact. energy: -0.012
local terms energy: -55.219845
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -11.887
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: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -138.409500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.409500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.409500 (E_RNA)
where:
Base-Base interactions energy: -79.155
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.204
local terms energy: -59.050459
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -11.301
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: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -89.403018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403018 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.161
local terms energy: -55.262309
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -92.066166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.066166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.066166 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -33.400
Base-Backbone interact. energy: -0.299
local terms energy: -52.518683
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -5.381
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -75.504833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.504833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.504833 (E_RNA)
where:
Base-Base interactions energy: -29.010
where: short stacking energy: -26.528
Base-Backbone interact. energy: -0.015
local terms energy: -46.480189
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -205.750370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.750370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.750370 (E_RNA)
where:
Base-Base interactions energy: -122.623
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.024
local terms energy: -83.102828
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -186.623879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.623879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.623879 (E_RNA)
where:
Base-Base interactions energy: -115.678
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.100
local terms energy: -70.845648
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -178.724580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.724580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.724580 (E_RNA)
where:
Base-Base interactions energy: -105.661
where: short stacking energy: -57.052
Base-Backbone interact. energy: -0.154
local terms energy: -72.909122
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -11.873
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: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -172.189159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.189159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.189159 (E_RNA)
where:
Base-Base interactions energy: -97.075
where: short stacking energy: -54.786
Base-Backbone interact. energy: -0.001
local terms energy: -75.113277
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -158.599742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.599742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.599742 (E_RNA)
where:
Base-Base interactions energy: -95.202
where: short stacking energy: -59.216
Base-Backbone interact. energy: -0.085
local terms energy: -63.313236
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -6.794
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -112.805495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.805495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.805495 (E_RNA)
where:
Base-Base interactions energy: -51.078
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.041
local terms energy: -61.687187
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -13.098
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: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -133.995556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.995556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.995556 (E_RNA)
where:
Base-Base interactions energy: -76.387
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.061
local terms energy: -57.547595
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -4.738
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: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -99.389038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.389038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.389038 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -36.153
Base-Backbone interact. energy: -0.253
local terms energy: -60.861224
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -90.974479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974479 (E_RNA)
where:
Base-Base interactions energy: -33.623
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.060
local terms energy: -57.291011
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -80.323566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.323566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.323566 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -31.352
Base-Backbone interact. energy: 1.299
local terms energy: -50.270050
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -2.893
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: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -216.681122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681122 (E_RNA)
where:
Base-Base interactions energy: -134.063
where: short stacking energy: -70.783
Base-Backbone interact. energy: -1.296
local terms energy: -81.321251
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -188.852997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.852997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.852997 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -62.516
Base-Backbone interact. energy: -0.036
local terms energy: -62.931775
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -175.852229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.852229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.852229 (E_RNA)
where:
Base-Base interactions energy: -103.199
where: short stacking energy: -63.805
Base-Backbone interact. energy: -0.167
local terms energy: -72.486162
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -170.116245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.116245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.116245 (E_RNA)
where:
Base-Base interactions energy: -107.115
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.295
local terms energy: -62.706556
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -2.297
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -150.523409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.523409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.523409 (E_RNA)
where:
Base-Base interactions energy: -83.021
where: short stacking energy: -45.442
Base-Backbone interact. energy: 0.083
local terms energy: -67.584672
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -149.508592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.508592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.508592 (E_RNA)
where:
Base-Base interactions energy: -84.189
where: short stacking energy: -43.714
Base-Backbone interact. energy: -0.834
local terms energy: -64.485452
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -113.625055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.625055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.625055 (E_RNA)
where:
Base-Base interactions energy: -61.843
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.038
local terms energy: -51.743765
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -87.101722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.101722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.101722 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -31.759
Base-Backbone interact. energy: -0.128
local terms energy: -55.215022
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -7.664
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: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -83.053119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.053119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.053119 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.264
local terms energy: -52.046550
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -0.246
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: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -83.342935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.342935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.342935 (E_RNA)
where:
Base-Base interactions energy: -28.301
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.195
local terms energy: -54.847088
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -207.549257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.549257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.549257 (E_RNA)
where:
Base-Base interactions energy: -133.115
where: short stacking energy: -71.129
Base-Backbone interact. energy: -0.192
local terms energy: -74.242221
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -204.449512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.449512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.449512 (E_RNA)
where:
Base-Base interactions energy: -128.643
where: short stacking energy: -69.186
Base-Backbone interact. energy: -0.004
local terms energy: -75.801627
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -163.336612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.336612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.336612 (E_RNA)
where:
Base-Base interactions energy: -99.927
where: short stacking energy: -45.877
Base-Backbone interact. energy: -0.158
local terms energy: -63.252181
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -183.968608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.968608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.968608 (E_RNA)
where:
Base-Base interactions energy: -111.094
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.057
local terms energy: -72.818178
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -162.004143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.004143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.004143 (E_RNA)
where:
Base-Base interactions energy: -99.130
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.151
local terms energy: -62.722435
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -10.143
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: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -156.514083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.514083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.514083 (E_RNA)
where:
Base-Base interactions energy: -90.974
where: short stacking energy: -39.526
Base-Backbone interact. energy: -0.037
local terms energy: -65.503246
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -97.844346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.844346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.844346 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -43.612
Base-Backbone interact. energy: -0.073
local terms energy: -54.159759
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -88.200342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.200342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.200342 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -32.097
Base-Backbone interact. energy: -0.252
local terms energy: -53.156902
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -8.268
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: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -91.238520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.238520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.238520 (E_RNA)
where:
Base-Base interactions energy: -40.887
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.025
local terms energy: -50.326635
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -6.833
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -80.939461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.939461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.939461 (E_RNA)
where:
Base-Base interactions energy: -23.583
where: short stacking energy: -23.583
Base-Backbone interact. energy: -0.498
local terms energy: -56.858468
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -4.022
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -211.648745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.648745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.648745 (E_RNA)
where:
Base-Base interactions energy: -137.985
where: short stacking energy: -64.600
Base-Backbone interact. energy: -0.199
local terms energy: -73.464138
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -203.382604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.382604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.382604 (E_RNA)
where:
Base-Base interactions energy: -121.618
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.250
local terms energy: -81.514266
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -171.045269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.045269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.045269 (E_RNA)
where:
Base-Base interactions energy: -104.284
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.080
local terms energy: -66.681872
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -158.710588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.710588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.710588 (E_RNA)
where:
Base-Base interactions energy: -88.725
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.082
local terms energy: -69.903368
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -166.337319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.337319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.337319 (E_RNA)
where:
Base-Base interactions energy: -97.845
where: short stacking energy: -56.940
Base-Backbone interact. energy: 0.538
local terms energy: -69.029952
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -13.345
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: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -105.251960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.251960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.251960 (E_RNA)
where:
Base-Base interactions energy: -43.763
where: short stacking energy: -38.187
Base-Backbone interact. energy: -0.104
local terms energy: -61.385067
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -145.428898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.428898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.428898 (E_RNA)
where:
Base-Base interactions energy: -84.909
where: short stacking energy: -44.569
Base-Backbone interact. energy: 1.182
local terms energy: -61.701696
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -10.488
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: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -95.999730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.999730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.999730 (E_RNA)
where:
Base-Base interactions energy: -37.232
where: short stacking energy: -34.060
Base-Backbone interact. energy: -1.282
local terms energy: -57.486189
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -85.813599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.813599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.813599 (E_RNA)
where:
Base-Base interactions energy: -30.317
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.091
local terms energy: -55.406080
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.172
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: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -84.856700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.856700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.856700 (E_RNA)
where:
Base-Base interactions energy: -34.322
where: short stacking energy: -34.522
Base-Backbone interact. energy: 0.974
local terms energy: -51.508609
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -210.998716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.998716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.998716 (E_RNA)
where:
Base-Base interactions energy: -129.625
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.099
local terms energy: -81.274081
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -211.361149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.361149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.361149 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -77.032
Base-Backbone interact. energy: -0.211
local terms energy: -81.599029
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -160.337301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.337301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.337301 (E_RNA)
where:
Base-Base interactions energy: -89.384
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.700
local terms energy: -70.253249
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -13.452
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: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -146.656088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.656088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.656088 (E_RNA)
where:
Base-Base interactions energy: -75.961
where: short stacking energy: -46.097
Base-Backbone interact. energy: -1.125
local terms energy: -69.570012
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -10.025
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: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -155.231277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.231277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.231277 (E_RNA)
where:
Base-Base interactions energy: -92.571
where: short stacking energy: -45.725
Base-Backbone interact. energy: 0.267
local terms energy: -62.927153
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -11.829
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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -122.677536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.677536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.677536 (E_RNA)
where:
Base-Base interactions energy: -60.577
where: short stacking energy: -47.475
Base-Backbone interact. energy: -0.007
local terms energy: -62.093609
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -147.766399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.766399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.766399 (E_RNA)
where:
Base-Base interactions energy: -92.667
where: short stacking energy: -47.706
Base-Backbone interact. energy: 2.380
local terms energy: -57.479401
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.617
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -82.903655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.903655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.903655 (E_RNA)
where:
Base-Base interactions energy: -34.382
where: short stacking energy: -33.886
Base-Backbone interact. energy: 0.284
local terms energy: -48.805797
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -93.452480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.452480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.452480 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -23.565
Base-Backbone interact. energy: 3.170
local terms energy: -68.912559
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -77.859455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.859455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.859455 (E_RNA)
where:
Base-Base interactions energy: -24.709
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.121
local terms energy: -53.030315
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -200.462085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462085 (E_RNA)
where:
Base-Base interactions energy: -124.647
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.140
local terms energy: -75.674848
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -218.708545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.708545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.708545 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.000
local terms energy: -80.311450
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -173.069987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.069987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.069987 (E_RNA)
where:
Base-Base interactions energy: -104.949
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.017
local terms energy: -68.104498
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.323
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: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -169.152954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.152954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.152954 (E_RNA)
where:
Base-Base interactions energy: -99.195
where: short stacking energy: -57.162
Base-Backbone interact. energy: 0.171
local terms energy: -70.128920
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -162.463628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.463628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.463628 (E_RNA)
where:
Base-Base interactions energy: -96.734
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.544
local terms energy: -65.186309
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -154.129787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.129787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.129787 (E_RNA)
where:
Base-Base interactions energy: -92.661
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.096
local terms energy: -61.373462
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -7.966
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: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -96.135468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.135468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.135468 (E_RNA)
where:
Base-Base interactions energy: -39.317
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.186
local terms energy: -56.632101
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -80.341155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341155 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.081
local terms energy: -42.636200
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: 1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -86.330120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.330120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.330120 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -26.261
Base-Backbone interact. energy: 1.960
local terms energy: -53.921620
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -1.563
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: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -84.296489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.296489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.296489 (E_RNA)
where:
Base-Base interactions energy: -34.407
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.044
local terms energy: -49.845790
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -0.746
tors. eta vs tors. theta energy: -8.727
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: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -206.646091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.646091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.646091 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -80.593
Base-Backbone interact. energy: -0.002
local terms energy: -73.374003
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -206.501199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.501199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.501199 (E_RNA)
where:
Base-Base interactions energy: -128.355
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.001
local terms energy: -78.144607
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -166.454894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454894 (E_RNA)
where:
Base-Base interactions energy: -96.653
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.081
local terms energy: -69.721504
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -166.570743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.570743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.570743 (E_RNA)
where:
Base-Base interactions energy: -103.502
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.229
local terms energy: -62.839963
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -158.206292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.206292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.206292 (E_RNA)
where:
Base-Base interactions energy: -99.801
where: short stacking energy: -57.518
Base-Backbone interact. energy: 2.263
local terms energy: -60.668768
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -162.579654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.579654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.579654 (E_RNA)
where:
Base-Base interactions energy: -94.635
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.292
local terms energy: -67.652827
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -90.396349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.396349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.396349 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -32.537
Base-Backbone interact. energy: 0.057
local terms energy: -57.916463
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -89.085092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.085092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.085092 (E_RNA)
where:
Base-Base interactions energy: -35.423
where: short stacking energy: -33.103
Base-Backbone interact. energy: 2.118
local terms energy: -55.780385
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -90.760286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.760286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.760286 (E_RNA)
where:
Base-Base interactions energy: -37.089
where: short stacking energy: -31.547
Base-Backbone interact. energy: -0.171
local terms energy: -53.500766
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -81.570962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.570962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.570962 (E_RNA)
where:
Base-Base interactions energy: -42.093
where: short stacking energy: -32.441
Base-Backbone interact. energy: 2.578
local terms energy: -42.056004
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -5.389
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -200.282043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.282043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.282043 (E_RNA)
where:
Base-Base interactions energy: -122.445
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.209
local terms energy: -77.627886
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -9.674
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: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -219.374111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.374111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.374111 (E_RNA)
where:
Base-Base interactions energy: -132.137
where: short stacking energy: -85.056
Base-Backbone interact. energy: -0.621
local terms energy: -86.615938
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -26.192
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: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -171.634403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.634403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.634403 (E_RNA)
where:
Base-Base interactions energy: -102.501
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.280
local terms energy: -68.853644
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -11.310
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -178.216139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.216139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.216139 (E_RNA)
where:
Base-Base interactions energy: -105.682
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.112
local terms energy: -72.422624
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -13.818
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: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -180.827039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.827039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.827039 (E_RNA)
where:
Base-Base interactions energy: -109.672
where: short stacking energy: -71.492
Base-Backbone interact. energy: 0.134
local terms energy: -71.289759
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.438
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: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -168.348307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.348307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.348307 (E_RNA)
where:
Base-Base interactions energy: -99.603
where: short stacking energy: -55.270
Base-Backbone interact. energy: -0.618
local terms energy: -68.127248
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -88.519308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.519308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.519308 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.411
local terms energy: -48.967754
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -85.114710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.114710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.114710 (E_RNA)
where:
Base-Base interactions energy: -31.618
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.167
local terms energy: -53.329443
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -0.801
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: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -89.637152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.637152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.637152 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -30.503
Base-Backbone interact. energy: 0.101
local terms energy: -59.235370
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -7.497
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: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -75.311195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.311195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.311195 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.508
local terms energy: -43.393632
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -226.813942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.813942 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -81.284
Base-Backbone interact. energy: -0.047
local terms energy: -89.179146
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -25.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -198.022538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.022538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.022538 (E_RNA)
where:
Base-Base interactions energy: -119.984
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.077
local terms energy: -77.961536
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -174.242929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.242929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.242929 (E_RNA)
where:
Base-Base interactions energy: -104.154
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.324
local terms energy: -69.765500
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -140.579029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.579029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.579029 (E_RNA)
where:
Base-Base interactions energy: -80.891
where: short stacking energy: -40.442
Base-Backbone interact. energy: -0.156
local terms energy: -59.531375
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -7.272
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: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -173.054019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.054019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.054019 (E_RNA)
where:
Base-Base interactions energy: -96.275
where: short stacking energy: -56.419
Base-Backbone interact. energy: 1.321
local terms energy: -78.100904
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -169.725485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.725485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.725485 (E_RNA)
where:
Base-Base interactions energy: -101.969
where: short stacking energy: -61.774
Base-Backbone interact. energy: 0.004
local terms energy: -67.760244
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -12.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -97.728731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.728731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.728731 (E_RNA)
where:
Base-Base interactions energy: -40.637
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.177
local terms energy: -56.914470
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -87.251073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.251073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.251073 (E_RNA)
where:
Base-Base interactions energy: -25.050
where: short stacking energy: -25.050
Base-Backbone interact. energy: -2.036
local terms energy: -60.164192
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -84.274754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.274754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.274754 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -26.762
Base-Backbone interact. energy: -2.185
local terms energy: -49.815642
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -93.191172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.191172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.191172 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -27.387
Base-Backbone interact. energy: -0.073
local terms energy: -56.069248
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -6.579
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: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -225.589448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.589448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.589448 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -81.347
Base-Backbone interact. energy: -0.185
local terms energy: -82.919305
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -13.749
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: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -194.173112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.173112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.173112 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.004
local terms energy: -69.588824
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -174.280531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.280531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.280531 (E_RNA)
where:
Base-Base interactions energy: -99.222
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.009
local terms energy: -75.049887
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -176.470088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.470088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.470088 (E_RNA)
where:
Base-Base interactions energy: -107.313
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.059
local terms energy: -69.098244
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -144.665417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.665417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.665417 (E_RNA)
where:
Base-Base interactions energy: -85.415
where: short stacking energy: -51.829
Base-Backbone interact. energy: -0.156
local terms energy: -59.094455
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -7.639
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: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -104.301703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.301703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.301703 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -42.287
Base-Backbone interact. energy: -0.060
local terms energy: -61.955617
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.118
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: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -147.321594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.321594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.321594 (E_RNA)
where:
Base-Base interactions energy: -87.101
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.060
local terms energy: -60.159684
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -83.483064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.483064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.483064 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.311
local terms energy: -47.841978
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -87.667512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.667512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.667512 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -27.988
Base-Backbone interact. energy: -0.331
local terms energy: -50.413405
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -80.063551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.063551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.063551 (E_RNA)
where:
Base-Base interactions energy: -24.281
where: short stacking energy: -24.281
Base-Backbone interact. energy: -0.149
local terms energy: -55.634186
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -220.520582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.520582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.520582 (E_RNA)
where:
Base-Base interactions energy: -138.663
where: short stacking energy: -78.740
Base-Backbone interact. energy: -2.096
local terms energy: -79.761557
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -200.369185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.369185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.369185 (E_RNA)
where:
Base-Base interactions energy: -124.363
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.041
local terms energy: -75.965163
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -22.720
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: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -183.170061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.170061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.170061 (E_RNA)
where:
Base-Base interactions energy: -109.517
where: short stacking energy: -65.374
Base-Backbone interact. energy: -0.031
local terms energy: -73.621467
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -19.878
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: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -177.906758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.906758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.906758 (E_RNA)
where:
Base-Base interactions energy: -106.910
where: short stacking energy: -63.367
Base-Backbone interact. energy: -0.041
local terms energy: -70.955534
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -150.182849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.182849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.182849 (E_RNA)
where:
Base-Base interactions energy: -85.407
where: short stacking energy: -50.956
Base-Backbone interact. energy: -0.676
local terms energy: -64.100263
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -14.617
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: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -103.356602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.356602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.356602 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -36.326
Base-Backbone interact. energy: -0.016
local terms energy: -58.823432
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -96.873173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.873173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.873173 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -39.865
Base-Backbone interact. energy: -0.228
local terms energy: -56.779745
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -8.196
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: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -148.150845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.150845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.150845 (E_RNA)
where:
Base-Base interactions energy: -86.549
where: short stacking energy: -44.577
Base-Backbone interact. energy: -0.236
local terms energy: -61.366204
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -84.599123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.599123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.599123 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.197
local terms energy: -56.068548
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -91.349367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.349367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.349367 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.118
local terms energy: -55.858833
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.799
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -215.966383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.966383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.966383 (E_RNA)
where:
Base-Base interactions energy: -140.813
where: short stacking energy: -78.446
Base-Backbone interact. energy: -0.002
local terms energy: -75.150779
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -198.377814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.377814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377814 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.656
local terms energy: -79.435728
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -20.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -187.982461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.982461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.982461 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.181
local terms energy: -74.151578
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -178.554814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.554814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.554814 (E_RNA)
where:
Base-Base interactions energy: -101.836
where: short stacking energy: -59.023
Base-Backbone interact. energy: -0.036
local terms energy: -76.683340
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -156.787974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.787974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.787974 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -53.155
Base-Backbone interact. energy: 0.019
local terms energy: -60.880541
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -12.632
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: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -105.465247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.465247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.465247 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -42.749
Base-Backbone interact. energy: -0.003
local terms energy: -62.712625
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -104.192885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.192885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.192885 (E_RNA)
where:
Base-Base interactions energy: -54.047
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.313
local terms energy: -49.833545
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -8.452
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: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -131.596167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.596167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.596167 (E_RNA)
where:
Base-Base interactions energy: -73.291
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.301
local terms energy: -58.003971
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -10.648
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -90.984596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.984596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.984596 (E_RNA)
where:
Base-Base interactions energy: -32.264
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.088
local terms energy: -58.632349
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -86.955936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955936 (E_RNA)
where:
Base-Base interactions energy: -36.172
where: short stacking energy: -24.426
Base-Backbone interact. energy: -0.271
local terms energy: -50.513242
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -225.033722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.033722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.033722 (E_RNA)
where:
Base-Base interactions energy: -142.523
where: short stacking energy: -89.382
Base-Backbone interact. energy: -0.032
local terms energy: -82.478911
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -187.341290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.341290 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.003
local terms energy: -77.925011
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -173.011235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.011235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.011235 (E_RNA)
where:
Base-Base interactions energy: -109.559
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.129
local terms energy: -63.323083
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -180.734129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.734129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.734129 (E_RNA)
where:
Base-Base interactions energy: -110.527
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.085
local terms energy: -70.122368
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -116.231304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.231304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.231304 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -48.007
Base-Backbone interact. energy: -0.211
local terms energy: -68.012906
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -150.210467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.210467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.210467 (E_RNA)
where:
Base-Base interactions energy: -80.593
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.161
local terms energy: -69.456560
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -141.033215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.033215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.033215 (E_RNA)
where:
Base-Base interactions energy: -78.807
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.121
local terms energy: -62.105862
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -87.891429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.891429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.891429 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -18.688
Base-Backbone interact. energy: 0.559
local terms energy: -54.553608
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -91.015536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015536 (E_RNA)
where:
Base-Base interactions energy: -34.023
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.181
local terms energy: -56.811282
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -93.255672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.255672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.255672 (E_RNA)
where:
Base-Base interactions energy: -38.810
where: short stacking energy: -36.706
Base-Backbone interact. energy: 0.907
local terms energy: -55.352831
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -6.092
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: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -215.747589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.747589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.747589 (E_RNA)
where:
Base-Base interactions energy: -128.775
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.006
local terms energy: -86.966602
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -191.095510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.095510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.095510 (E_RNA)
where:
Base-Base interactions energy: -114.572
where: short stacking energy: -58.314
Base-Backbone interact. energy: -0.411
local terms energy: -76.111917
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -16.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -174.448264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.448264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.448264 (E_RNA)
where:
Base-Base interactions energy: -97.895
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.217
local terms energy: -76.335802
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -182.819119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.819119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.819119 (E_RNA)
where:
Base-Base interactions energy: -112.185
where: short stacking energy: -61.946
Base-Backbone interact. energy: -0.043
local terms energy: -70.591879
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -130.813582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.813582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.813582 (E_RNA)
where:
Base-Base interactions energy: -62.652
where: short stacking energy: -36.978
Base-Backbone interact. energy: -0.504
local terms energy: -67.657836
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -146.024474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.024474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.024474 (E_RNA)
where:
Base-Base interactions energy: -84.013
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.078
local terms energy: -61.933354
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -146.002395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.002395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.002395 (E_RNA)
where:
Base-Base interactions energy: -74.487
where: short stacking energy: -42.776
Base-Backbone interact. energy: 0.987
local terms energy: -72.502204
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -89.512926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.512926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.512926 (E_RNA)
where:
Base-Base interactions energy: -41.588
where: short stacking energy: -29.114
Base-Backbone interact. energy: 0.093
local terms energy: -48.017846
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -2.488
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -96.797184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.797184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.797184 (E_RNA)
where:
Base-Base interactions energy: -41.628
where: short stacking energy: -27.938
Base-Backbone interact. energy: -0.145
local terms energy: -55.024619
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -89.389105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.389105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.389105 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -33.544
Base-Backbone interact. energy: -0.055
local terms energy: -51.717580
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.084
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: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -208.261585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.261585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.261585 (E_RNA)
where:
Base-Base interactions energy: -122.254
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.017
local terms energy: -85.990913
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -190.836994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.836994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.836994 (E_RNA)
where:
Base-Base interactions energy: -116.565
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.029
local terms energy: -74.242679
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -188.055919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.055919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.055919 (E_RNA)
where:
Base-Base interactions energy: -111.163
where: short stacking energy: -62.602
Base-Backbone interact. energy: 0.127
local terms energy: -77.020686
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -166.691767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.691767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.691767 (E_RNA)
where:
Base-Base interactions energy: -100.947
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.206
local terms energy: -65.538726
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -159.538417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.538417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.538417 (E_RNA)
where:
Base-Base interactions energy: -94.579
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.026
local terms energy: -64.933796
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -10.465
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: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -132.032664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.032664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.032664 (E_RNA)
where:
Base-Base interactions energy: -68.722
where: short stacking energy: -43.544
Base-Backbone interact. energy: -0.045
local terms energy: -63.266050
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.529
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -154.210831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.210831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.210831 (E_RNA)
where:
Base-Base interactions energy: -89.037
where: short stacking energy: -52.892
Base-Backbone interact. energy: -0.025
local terms energy: -65.148202
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -88.799574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.799574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.799574 (E_RNA)
where:
Base-Base interactions energy: -31.906
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.076
local terms energy: -56.816828
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -13.076
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -88.783662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.783662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.783662 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -32.589
Base-Backbone interact. energy: 0.345
local terms energy: -56.540110
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -9.685
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: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -86.151203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.151203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.151203 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -25.743
Base-Backbone interact. energy: -0.147
local terms energy: -48.219214
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -0.536
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: 169
Temperature: 0.900000
Total energy: -208.216437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.216437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216437 (E_RNA)
where:
Base-Base interactions energy: -123.240
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.404
local terms energy: -84.572628
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -198.129947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.129947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.129947 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.037
local terms energy: -75.913042
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -18.458
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: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -179.022274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.022274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.022274 (E_RNA)
where:
Base-Base interactions energy: -103.347
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.017
local terms energy: -75.657895
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -158.188419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.188419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.188419 (E_RNA)
where:
Base-Base interactions energy: -89.069
where: short stacking energy: -50.818
Base-Backbone interact. energy: -0.265
local terms energy: -68.854187
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -13.522
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: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -153.357548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.357548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.357548 (E_RNA)
where:
Base-Base interactions energy: -89.133
where: short stacking energy: -49.540
Base-Backbone interact. energy: -0.247
local terms energy: -63.977978
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -145.532614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.532614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.532614 (E_RNA)
where:
Base-Base interactions energy: -72.257
where: short stacking energy: -44.979
Base-Backbone interact. energy: 0.765
local terms energy: -74.040440
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -155.344993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.344993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.344993 (E_RNA)
where:
Base-Base interactions energy: -92.112
where: short stacking energy: -53.426
Base-Backbone interact. energy: 2.304
local terms energy: -65.536868
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -88.082313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.082313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.082313 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.017
local terms energy: -54.720049
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -91.304928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.304928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.304928 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.152
local terms energy: -58.100540
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -7.109
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: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -87.533505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.533505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.533505 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -26.560
Base-Backbone interact. energy: -0.100
local terms energy: -52.125625
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.229
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: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -201.049022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049022 (E_RNA)
where:
Base-Base interactions energy: -124.826
where: short stacking energy: -68.187
Base-Backbone interact. energy: 1.292
local terms energy: -77.515309
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -207.097290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.097290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.097290 (E_RNA)
where:
Base-Base interactions energy: -127.267
where: short stacking energy: -68.590
Base-Backbone interact. energy: 0.198
local terms energy: -80.028377
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -180.728636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.728636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.728636 (E_RNA)
where:
Base-Base interactions energy: -101.322
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.158
local terms energy: -79.248647
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -145.656936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.656936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.656936 (E_RNA)
where:
Base-Base interactions energy: -80.338
where: short stacking energy: -44.830
Base-Backbone interact. energy: -0.510
local terms energy: -64.809171
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -169.693795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.693795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.693795 (E_RNA)
where:
Base-Base interactions energy: -98.930
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.120
local terms energy: -70.644630
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -96.277443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.277443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.277443 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -36.641
Base-Backbone interact. energy: -0.606
local terms energy: -50.719638
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -98.291729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.291729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.291729 (E_RNA)
where:
Base-Base interactions energy: -49.833
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.162
local terms energy: -48.296217
where:
bonds (distance) C4'-P energy: -4.162
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -148.658828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.658828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.658828 (E_RNA)
where:
Base-Base interactions energy: -86.111
where: short stacking energy: -42.019
Base-Backbone interact. energy: -0.215
local terms energy: -62.332818
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -79.383729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.383729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.383729 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -27.663
Base-Backbone interact. energy: 1.339
local terms energy: -47.644560
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -4.933
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: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -81.499305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.499305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.499305 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -28.331
Base-Backbone interact. energy: -0.210
local terms energy: -52.957779
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -1.998
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: 171
Temperature: 0.900000
Total energy: -205.205642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.205642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.205642 (E_RNA)
where:
Base-Base interactions energy: -130.738
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.008
local terms energy: -74.459722
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -195.678258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.678258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.678258 (E_RNA)
where:
Base-Base interactions energy: -125.715
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.841
local terms energy: -69.122640
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -178.524279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.524279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.524279 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.046
local terms energy: -62.882339
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -157.868452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.868452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.868452 (E_RNA)
where:
Base-Base interactions energy: -89.550
where: short stacking energy: -46.303
Base-Backbone interact. energy: -0.280
local terms energy: -68.038261
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.198
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: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -139.014603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.014603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.014603 (E_RNA)
where:
Base-Base interactions energy: -68.361
where: short stacking energy: -46.115
Base-Backbone interact. energy: -0.034
local terms energy: -70.619519
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -97.829686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.829686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.829686 (E_RNA)
where:
Base-Base interactions energy: -37.833
where: short stacking energy: -37.833
Base-Backbone interact. energy: 0.414
local terms energy: -60.410422
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -7.393
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -95.866461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866461 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.756
local terms energy: -60.474609
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -136.267101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.267101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.267101 (E_RNA)
where:
Base-Base interactions energy: -77.520
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.210
local terms energy: -58.537130
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.897
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: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -76.262849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.262849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.262849 (E_RNA)
where:
Base-Base interactions energy: -25.249
where: short stacking energy: -24.360
Base-Backbone interact. energy: -0.276
local terms energy: -50.738140
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -4.437
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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -83.409045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.409045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.409045 (E_RNA)
where:
Base-Base interactions energy: -21.137
where: short stacking energy: -21.137
Base-Backbone interact. energy: -0.276
local terms energy: -61.995942
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -212.261908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.261908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.261908 (E_RNA)
where:
Base-Base interactions energy: -134.865
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.009
local terms energy: -77.387411
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -195.518926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.518926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.518926 (E_RNA)
where:
Base-Base interactions energy: -118.419
where: short stacking energy: -65.035
Base-Backbone interact. energy: -0.004
local terms energy: -77.096595
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -176.942616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.942616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.942616 (E_RNA)
where:
Base-Base interactions energy: -109.119
where: short stacking energy: -60.679
Base-Backbone interact. energy: -0.029
local terms energy: -67.794865
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -168.969255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.969255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.969255 (E_RNA)
where:
Base-Base interactions energy: -99.737
where: short stacking energy: -50.633
Base-Backbone interact. energy: -0.489
local terms energy: -68.743110
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -100.999360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.999360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.999360 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -41.115
Base-Backbone interact. energy: -0.075
local terms energy: -59.809732
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -120.526977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.526977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.526977 (E_RNA)
where:
Base-Base interactions energy: -59.726
where: short stacking energy: -34.277
Base-Backbone interact. energy: -0.428
local terms energy: -60.372417
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -145.778127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.778127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.778127 (E_RNA)
where:
Base-Base interactions energy: -87.218
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.607
local terms energy: -57.952864
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -112.935216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.935216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.935216 (E_RNA)
where:
Base-Base interactions energy: -63.256
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.124
local terms energy: -49.554617
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -84.172438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.172438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.172438 (E_RNA)
where:
Base-Base interactions energy: -31.851
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.356
local terms energy: -51.965727
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -3.220
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: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -77.864247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.864247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.864247 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.053
local terms energy: -46.445336
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -1.927
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: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -212.600125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.600125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.600125 (E_RNA)
where:
Base-Base interactions energy: -131.445
where: short stacking energy: -80.128
Base-Backbone interact. energy: -0.947
local terms energy: -80.208856
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -24.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -192.272028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.272028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.272028 (E_RNA)
where:
Base-Base interactions energy: -116.706
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.027
local terms energy: -75.538825
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -190.897996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897996 (E_RNA)
where:
Base-Base interactions energy: -115.919
where: short stacking energy: -64.634
Base-Backbone interact. energy: -0.007
local terms energy: -74.971961
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -177.891334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.891334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.891334 (E_RNA)
where:
Base-Base interactions energy: -104.703
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.221
local terms energy: -72.967301
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -17.757
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: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -139.811830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.811830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.811830 (E_RNA)
where:
Base-Base interactions energy: -77.231
where: short stacking energy: -48.845
Base-Backbone interact. energy: -0.037
local terms energy: -62.543577
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -162.917586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.917586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.917586 (E_RNA)
where:
Base-Base interactions energy: -96.341
where: short stacking energy: -48.178
Base-Backbone interact. energy: -0.107
local terms energy: -66.470373
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -132.716852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.716852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.716852 (E_RNA)
where:
Base-Base interactions energy: -70.408
where: short stacking energy: -40.863
Base-Backbone interact. energy: 0.391
local terms energy: -62.699999
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -88.227329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227329 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -30.869
Base-Backbone interact. energy: 0.294
local terms energy: -55.887674
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -110.274232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.274232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.274232 (E_RNA)
where:
Base-Base interactions energy: -59.314
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.027
local terms energy: -50.932853
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -94.634856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.634856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.634856 (E_RNA)
where:
Base-Base interactions energy: -48.362
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.152
local terms energy: -46.120679
where:
bonds (distance) C4'-P energy: -6.658
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -218.709165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709165 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -81.851
Base-Backbone interact. energy: -0.025
local terms energy: -76.727076
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -201.281139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.281139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.281139 (E_RNA)
where:
Base-Base interactions energy: -124.371
where: short stacking energy: -68.410
Base-Backbone interact. energy: -0.087
local terms energy: -76.822887
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -196.218150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.218150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.218150 (E_RNA)
where:
Base-Base interactions energy: -115.100
where: short stacking energy: -60.182
Base-Backbone interact. energy: -0.002
local terms energy: -81.115781
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -169.020199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.020199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.020199 (E_RNA)
where:
Base-Base interactions energy: -95.490
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.050
local terms energy: -73.480450
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -156.111216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.111216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.111216 (E_RNA)
where:
Base-Base interactions energy: -95.999
where: short stacking energy: -56.830
Base-Backbone interact. energy: -0.060
local terms energy: -60.051949
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -14.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -138.614257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.614257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.614257 (E_RNA)
where:
Base-Base interactions energy: -79.698
where: short stacking energy: -45.614
Base-Backbone interact. energy: -0.041
local terms energy: -58.875791
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -106.975835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.975835 (E_RNA)
where:
Base-Base interactions energy: -54.666
where: short stacking energy: -34.415
Base-Backbone interact. energy: 0.560
local terms energy: -52.870431
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -7.284
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: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -130.358920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.358920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.358920 (E_RNA)
where:
Base-Base interactions energy: -70.964
where: short stacking energy: -46.863
Base-Backbone interact. energy: -0.137
local terms energy: -59.258059
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -143.366802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.366802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.366802 (E_RNA)
where:
Base-Base interactions energy: -82.885
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.188
local terms energy: -60.293857
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.039
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: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -116.975488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.975488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.975488 (E_RNA)
where:
Base-Base interactions energy: -63.364
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.253
local terms energy: -53.358975
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -205.588491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.588491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.588491 (E_RNA)
where:
Base-Base interactions energy: -124.054
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.066
local terms energy: -81.467845
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -11.695
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: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -192.621453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.621453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.621453 (E_RNA)
where:
Base-Base interactions energy: -122.242
where: short stacking energy: -69.594
Base-Backbone interact. energy: -0.006
local terms energy: -70.374333
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -191.147702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.147702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147702 (E_RNA)
where:
Base-Base interactions energy: -113.341
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.141
local terms energy: -77.665127
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -12.284
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: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -172.933161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.933161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.933161 (E_RNA)
where:
Base-Base interactions energy: -98.410
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.081
local terms energy: -74.441753
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -12.863
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: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -148.626518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.626518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.626518 (E_RNA)
where:
Base-Base interactions energy: -85.214
where: short stacking energy: -46.844
Base-Backbone interact. energy: -0.160
local terms energy: -63.253169
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -135.356903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.356903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.356903 (E_RNA)
where:
Base-Base interactions energy: -70.086
where: short stacking energy: -43.979
Base-Backbone interact. energy: -0.749
local terms energy: -64.521428
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -106.938280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.938280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.938280 (E_RNA)
where:
Base-Base interactions energy: -48.079
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.023
local terms energy: -58.836628
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -157.977871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.977871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.977871 (E_RNA)
where:
Base-Base interactions energy: -97.405
where: short stacking energy: -53.239
Base-Backbone interact. energy: 0.002
local terms energy: -60.575520
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -118.814156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.814156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.814156 (E_RNA)
where:
Base-Base interactions energy: -68.983
where: short stacking energy: -39.939
Base-Backbone interact. energy: -0.242
local terms energy: -49.589667
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: 0.235
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -88.801813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.801813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.801813 (E_RNA)
where:
Base-Base interactions energy: -54.071
where: short stacking energy: -27.387
Base-Backbone interact. energy: -0.482
local terms energy: -34.248888
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -0.481
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: 4.134
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: 176
Temperature: 0.900000
Total energy: -218.890459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.890459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.890459 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.059
local terms energy: -82.145920
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -21.739
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: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -194.711367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711367 (E_RNA)
where:
Base-Base interactions energy: -119.151
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.066
local terms energy: -75.494716
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -186.320909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.320909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.320909 (E_RNA)
where:
Base-Base interactions energy: -112.227
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.001
local terms energy: -74.093105
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -173.748469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.748469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.748469 (E_RNA)
where:
Base-Base interactions energy: -103.570
where: short stacking energy: -54.802
Base-Backbone interact. energy: -0.093
local terms energy: -70.085368
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -7.889
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: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -171.396322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.396322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.396322 (E_RNA)
where:
Base-Base interactions energy: -95.871
where: short stacking energy: -56.834
Base-Backbone interact. energy: 0.027
local terms energy: -75.552580
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -16.047
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: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -133.844141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.844141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.844141 (E_RNA)
where:
Base-Base interactions energy: -83.902
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.034
local terms energy: -49.908109
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -125.095821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.095821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.095821 (E_RNA)
where:
Base-Base interactions energy: -73.493
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.256
local terms energy: -51.347260
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -106.202046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.202046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.202046 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -37.182
Base-Backbone interact. energy: -0.130
local terms energy: -60.075633
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -122.350012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.350012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.350012 (E_RNA)
where:
Base-Base interactions energy: -64.190
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.209
local terms energy: -57.950570
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -10.098
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: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -89.500227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.500227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.500227 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -33.631
Base-Backbone interact. energy: -0.190
local terms energy: -54.458588
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -227.108666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.108666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.108666 (E_RNA)
where:
Base-Base interactions energy: -142.765
where: short stacking energy: -80.756
Base-Backbone interact. energy: -0.051
local terms energy: -84.292726
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -187.061792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.061792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.061792 (E_RNA)
where:
Base-Base interactions energy: -118.926
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.008
local terms energy: -68.128180
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -16.835
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -183.677191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.677191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.677191 (E_RNA)
where:
Base-Base interactions energy: -119.852
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.040
local terms energy: -63.784576
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -165.972167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.972167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.972167 (E_RNA)
where:
Base-Base interactions energy: -91.810
where: short stacking energy: -47.547
Base-Backbone interact. energy: -0.415
local terms energy: -73.747830
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -156.859791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.859791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.859791 (E_RNA)
where:
Base-Base interactions energy: -91.326
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.189
local terms energy: -65.344571
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -131.654491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.654491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.654491 (E_RNA)
where:
Base-Base interactions energy: -72.772
where: short stacking energy: -48.110
Base-Backbone interact. energy: -0.112
local terms energy: -58.770900
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.378
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: 177
Temperature: 1.200000
Total energy: -99.452154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.452154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.452154 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.314
local terms energy: -62.593520
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -119.114607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.114607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.114607 (E_RNA)
where:
Base-Base interactions energy: -64.493
where: short stacking energy: -37.713
Base-Backbone interact. energy: -0.326
local terms energy: -54.295560
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.214
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: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -98.021814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.021814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.021814 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -37.107
Base-Backbone interact. energy: -0.162
local terms energy: -56.474176
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -99.203016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.203016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.203016 (E_RNA)
where:
Base-Base interactions energy: -45.636
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.300
local terms energy: -53.266919
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -219.269452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.269452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.269452 (E_RNA)
where:
Base-Base interactions energy: -136.185
where: short stacking energy: -82.596
Base-Backbone interact. energy: -0.024
local terms energy: -83.059764
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -187.399696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.399696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.399696 (E_RNA)
where:
Base-Base interactions energy: -107.196
where: short stacking energy: -71.231
Base-Backbone interact. energy: -0.196
local terms energy: -80.007747
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -194.514871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.514871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.514871 (E_RNA)
where:
Base-Base interactions energy: -119.704
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.003
local terms energy: -74.808458
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -17.865
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: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -144.132559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.132559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.132559 (E_RNA)
where:
Base-Base interactions energy: -81.529
where: short stacking energy: -56.401
Base-Backbone interact. energy: -0.013
local terms energy: -62.591160
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -9.086
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -158.402780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.402780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.402780 (E_RNA)
where:
Base-Base interactions energy: -93.531
where: short stacking energy: -51.622
Base-Backbone interact. energy: -0.256
local terms energy: -64.616379
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -171.418185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.418185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.418185 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.020
local terms energy: -58.673898
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -133.550798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.550798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.550798 (E_RNA)
where:
Base-Base interactions energy: -79.447
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.238
local terms energy: -53.865659
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -89.528095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.528095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.528095 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -32.128
Base-Backbone interact. energy: 2.125
local terms energy: -56.709310
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -108.812103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.812103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.812103 (E_RNA)
where:
Base-Base interactions energy: -53.039
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.642
local terms energy: -55.131334
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -86.411592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.411592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.411592 (E_RNA)
where:
Base-Base interactions energy: -33.043
where: short stacking energy: -33.043
Base-Backbone interact. energy: -0.033
local terms energy: -53.336084
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.870
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: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -223.409137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409137 (E_RNA)
where:
Base-Base interactions energy: -139.823
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.005
local terms energy: -83.580772
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -202.838088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.838088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.838088 (E_RNA)
where:
Base-Base interactions energy: -124.463
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.010
local terms energy: -78.364639
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -19.017
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: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -185.896560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.896560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.896560 (E_RNA)
where:
Base-Base interactions energy: -108.043
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.225
local terms energy: -77.629157
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.095
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: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -174.894336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.894336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.894336 (E_RNA)
where:
Base-Base interactions energy: -104.327
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.066
local terms energy: -70.501973
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -176.327344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.327344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.327344 (E_RNA)
where:
Base-Base interactions energy: -98.678
where: short stacking energy: -50.460
Base-Backbone interact. energy: -0.042
local terms energy: -77.606892
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -177.781861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.781861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.781861 (E_RNA)
where:
Base-Base interactions energy: -110.183
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.119
local terms energy: -67.479067
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -151.773717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.773717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.773717 (E_RNA)
where:
Base-Base interactions energy: -95.305
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.280
local terms energy: -56.188744
where:
bonds (distance) C4'-P energy: -2.786
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -125.195854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.195854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.195854 (E_RNA)
where:
Base-Base interactions energy: -63.749
where: short stacking energy: -37.233
Base-Backbone interact. energy: -0.386
local terms energy: -61.061002
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -8.218
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: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -95.597474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597474 (E_RNA)
where:
Base-Base interactions energy: -39.780
where: short stacking energy: -26.719
Base-Backbone interact. energy: -0.177
local terms energy: -55.640255
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: 0.693
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: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -77.576964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.576964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.576964 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -30.729
Base-Backbone interact. energy: 1.358
local terms energy: -48.205974
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -3.567
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -214.685391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.685391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.685391 (E_RNA)
where:
Base-Base interactions energy: -132.245
where: short stacking energy: -77.688
Base-Backbone interact. energy: 0.033
local terms energy: -82.474202
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -11.891
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: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -204.508252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.508252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.508252 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.007
local terms energy: -82.537577
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -182.735783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.735783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.735783 (E_RNA)
where:
Base-Base interactions energy: -111.138
where: short stacking energy: -67.908
Base-Backbone interact. energy: -0.050
local terms energy: -71.548249
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -166.002302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.002302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.002302 (E_RNA)
where:
Base-Base interactions energy: -94.447
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.014
local terms energy: -71.541017
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -170.710725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.710725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.710725 (E_RNA)
where:
Base-Base interactions energy: -104.903
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.052
local terms energy: -65.755336
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.504
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: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -146.917187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.917187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.917187 (E_RNA)
where:
Base-Base interactions energy: -84.077
where: short stacking energy: -46.381
Base-Backbone interact. energy: 0.159
local terms energy: -62.999301
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -110.931609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.931609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.931609 (E_RNA)
where:
Base-Base interactions energy: -64.737
where: short stacking energy: -25.836
Base-Backbone interact. energy: 0.672
local terms energy: -46.866608
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -11.953
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: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -146.273491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.273491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.273491 (E_RNA)
where:
Base-Base interactions energy: -92.104
where: short stacking energy: -44.002
Base-Backbone interact. energy: -0.049
local terms energy: -54.120340
where:
bonds (distance) C4'-P energy: -6.707
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -84.389365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.389365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.389365 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.121
local terms energy: -53.840565
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.048
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: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -87.151901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.151901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.151901 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.412
local terms energy: -46.971062
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -6.352
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -201.722469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.722469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.722469 (E_RNA)
where:
Base-Base interactions energy: -127.028
where: short stacking energy: -69.876
Base-Backbone interact. energy: 0.040
local terms energy: -74.734220
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -175.244442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.244442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.244442 (E_RNA)
where:
Base-Base interactions energy: -102.573
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.004
local terms energy: -72.667135
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.480
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: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -204.961384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.961384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.961384 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.063
local terms energy: -79.384109
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -195.656926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.656926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.656926 (E_RNA)
where:
Base-Base interactions energy: -127.314
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.017
local terms energy: -68.325919
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -16.679
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -165.086628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.086628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.086628 (E_RNA)
where:
Base-Base interactions energy: -102.168
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.121
local terms energy: -62.797396
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -151.749812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.749812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.749812 (E_RNA)
where:
Base-Base interactions energy: -90.512
where: short stacking energy: -51.968
Base-Backbone interact. energy: -0.089
local terms energy: -61.148487
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -121.195055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.195055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.195055 (E_RNA)
where:
Base-Base interactions energy: -64.831
where: short stacking energy: -35.106
Base-Backbone interact. energy: 0.276
local terms energy: -56.640779
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.874
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: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -126.610453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.610453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.610453 (E_RNA)
where:
Base-Base interactions energy: -75.461
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.071
local terms energy: -51.078534
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -3.044
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: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -82.891533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.891533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.891533 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.186
local terms energy: -47.783645
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -1.572
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -79.258594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.258594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.258594 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -30.133
Base-Backbone interact. energy: 0.063
local terms energy: -43.345965
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -6.735
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -208.947663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.947663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.947663 (E_RNA)
where:
Base-Base interactions energy: -132.497
where: short stacking energy: -73.176
Base-Backbone interact. energy: -0.041
local terms energy: -76.408868
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -186.847031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.847031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.847031 (E_RNA)
where:
Base-Base interactions energy: -109.836
where: short stacking energy: -68.234
Base-Backbone interact. energy: -0.069
local terms energy: -76.943016
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -200.627825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.627825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.627825 (E_RNA)
where:
Base-Base interactions energy: -121.847
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.063
local terms energy: -78.717788
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -194.546814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546814 (E_RNA)
where:
Base-Base interactions energy: -119.085
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.005
local terms energy: -75.457215
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -187.207521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.207521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.207521 (E_RNA)
where:
Base-Base interactions energy: -115.679
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.036
local terms energy: -71.492198
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -142.254707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.254707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.254707 (E_RNA)
where:
Base-Base interactions energy: -90.979
where: short stacking energy: -42.944
Base-Backbone interact. energy: -0.175
local terms energy: -51.100935
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -95.976854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976854 (E_RNA)
where:
Base-Base interactions energy: -45.829
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.271
local terms energy: -49.877571
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -9.991
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: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -141.258385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.258385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.258385 (E_RNA)
where:
Base-Base interactions energy: -82.886
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.838
local terms energy: -57.534277
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -9.310
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: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -100.787824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.787824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.787824 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -30.308
Base-Backbone interact. energy: -0.511
local terms energy: -66.864854
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -10.400
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: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -89.824440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.824440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.824440 (E_RNA)
where:
Base-Base interactions energy: -28.210
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.240
local terms energy: -61.374238
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -203.107747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.107747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.107747 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -70.290
Base-Backbone interact. energy: -0.003
local terms energy: -77.615434
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -195.323781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.323781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.323781 (E_RNA)
where:
Base-Base interactions energy: -118.966
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.153
local terms energy: -76.205287
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -183.680927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.680927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.680927 (E_RNA)
where:
Base-Base interactions energy: -109.640
where: short stacking energy: -68.598
Base-Backbone interact. energy: -1.014
local terms energy: -73.027311
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -190.693636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.693636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.693636 (E_RNA)
where:
Base-Base interactions energy: -116.261
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.101
local terms energy: -74.331972
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -183.228031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.228031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.228031 (E_RNA)
where:
Base-Base interactions energy: -121.517
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.008
local terms energy: -61.702461
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.669
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: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -144.471202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.471202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.471202 (E_RNA)
where:
Base-Base interactions energy: -84.967
where: short stacking energy: -45.684
Base-Backbone interact. energy: -0.017
local terms energy: -59.487297
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -107.973070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.973070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.973070 (E_RNA)
where:
Base-Base interactions energy: -45.404
where: short stacking energy: -42.612
Base-Backbone interact. energy: -0.187
local terms energy: -62.382315
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -9.416
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: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -143.736764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.736764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.736764 (E_RNA)
where:
Base-Base interactions energy: -83.613
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.611
local terms energy: -59.512467
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -90.126242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.126242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.126242 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.047
local terms energy: -54.477364
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -74.012341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.012341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.012341 (E_RNA)
where:
Base-Base interactions energy: -20.672
where: short stacking energy: -20.672
Base-Backbone interact. energy: 1.047
local terms energy: -54.387821
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -7.051
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: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -196.231922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.231922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.231922 (E_RNA)
where:
Base-Base interactions energy: -130.172
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.096
local terms energy: -65.964538
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -11.886
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: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -201.680512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.680512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680512 (E_RNA)
where:
Base-Base interactions energy: -128.962
where: short stacking energy: -76.709
Base-Backbone interact. energy: -0.003
local terms energy: -72.715786
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -184.877869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.877869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.877869 (E_RNA)
where:
Base-Base interactions energy: -116.040
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.008
local terms energy: -68.829919
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -174.460409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.460409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.460409 (E_RNA)
where:
Base-Base interactions energy: -99.915
where: short stacking energy: -52.210
Base-Backbone interact. energy: -0.066
local terms energy: -74.479161
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -15.170
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: 184
Temperature: 1.100000
Total energy: -157.405238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.405238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.405238 (E_RNA)
where:
Base-Base interactions energy: -94.646
where: short stacking energy: -56.179
Base-Backbone interact. energy: -0.214
local terms energy: -62.545193
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -4.400
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: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -168.435947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435947 (E_RNA)
where:
Base-Base interactions energy: -99.739
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.237
local terms energy: -68.460079
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -151.327199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.327199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.327199 (E_RNA)
where:
Base-Base interactions energy: -87.449
where: short stacking energy: -53.879
Base-Backbone interact. energy: 2.523
local terms energy: -66.401374
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.416
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: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -105.813622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.813622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.813622 (E_RNA)
where:
Base-Base interactions energy: -58.206
where: short stacking energy: -42.773
Base-Backbone interact. energy: 2.352
local terms energy: -49.959496
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -82.197957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.197957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.197957 (E_RNA)
where:
Base-Base interactions energy: -29.787
where: short stacking energy: -29.787
Base-Backbone interact. energy: 2.078
local terms energy: -54.488923
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -92.736996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.736996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.736996 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.058
local terms energy: -52.129817
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -7.170
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: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -205.633504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.633504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.633504 (E_RNA)
where:
Base-Base interactions energy: -133.551
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.443
local terms energy: -71.639566
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -189.276974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.276974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.276974 (E_RNA)
where:
Base-Base interactions energy: -119.930
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.058
local terms energy: -69.288479
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -185.494150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.494150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.494150 (E_RNA)
where:
Base-Base interactions energy: -114.807
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.033
local terms energy: -70.654498
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -168.225515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.225515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.225515 (E_RNA)
where:
Base-Base interactions energy: -97.475
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.045
local terms energy: -70.705153
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -169.138185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.138185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.138185 (E_RNA)
where:
Base-Base interactions energy: -98.533
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.019
local terms energy: -70.586248
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -20.147
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: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -173.444421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.444421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.444421 (E_RNA)
where:
Base-Base interactions energy: -114.760
where: short stacking energy: -49.323
Base-Backbone interact. energy: -0.417
local terms energy: -58.267439
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -10.151
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -150.853163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.853163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.853163 (E_RNA)
where:
Base-Base interactions energy: -86.417
where: short stacking energy: -44.909
Base-Backbone interact. energy: -0.121
local terms energy: -64.315760
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -94.553515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.553515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.553515 (E_RNA)
where:
Base-Base interactions energy: -34.146
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.375
local terms energy: -60.032495
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -76.765933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.765933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.765933 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.188
local terms energy: -42.625375
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -3.414
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: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -79.975801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.975801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.975801 (E_RNA)
where:
Base-Base interactions energy: -28.245
where: short stacking energy: -28.002
Base-Backbone interact. energy: -0.114
local terms energy: -51.616280
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -8.361
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -5.708
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: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -206.301146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.301146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.301146 (E_RNA)
where:
Base-Base interactions energy: -123.925
where: short stacking energy: -67.167
Base-Backbone interact. energy: -0.333
local terms energy: -82.042482
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -18.700
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: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -197.730568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.730568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.730568 (E_RNA)
where:
Base-Base interactions energy: -119.396
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.062
local terms energy: -78.272766
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -9.675
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: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -179.265316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.265316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.265316 (E_RNA)
where:
Base-Base interactions energy: -109.782
where: short stacking energy: -69.282
Base-Backbone interact. energy: -0.271
local terms energy: -69.212509
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -201.409525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.409525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.409525 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -69.611
Base-Backbone interact. energy: -0.306
local terms energy: -72.428501
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -179.495179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.495179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.495179 (E_RNA)
where:
Base-Base interactions energy: -106.882
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.019
local terms energy: -72.594247
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -148.648159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.648159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.648159 (E_RNA)
where:
Base-Base interactions energy: -83.127
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.290
local terms energy: -65.231254
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -115.904927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.904927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.904927 (E_RNA)
where:
Base-Base interactions energy: -48.969
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.081
local terms energy: -66.854496
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -9.547
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -153.780396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.780396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.780396 (E_RNA)
where:
Base-Base interactions energy: -86.143
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.030
local terms energy: -67.607605
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -9.711
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: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -91.679452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.679452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.679452 (E_RNA)
where:
Base-Base interactions energy: -37.521
where: short stacking energy: -37.400
Base-Backbone interact. energy: 1.637
local terms energy: -55.795052
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -7.509
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: 186
Temperature: 1.350000
Total energy: -77.140576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.140576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.140576 (E_RNA)
where:
Base-Base interactions energy: -21.221
where: short stacking energy: -16.563
Base-Backbone interact. energy: -0.042
local terms energy: -55.877237
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -206.039460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.039460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.039460 (E_RNA)
where:
Base-Base interactions energy: -130.323
where: short stacking energy: -63.661
Base-Backbone interact. energy: -0.153
local terms energy: -75.563742
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -204.297236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.297236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.297236 (E_RNA)
where:
Base-Base interactions energy: -121.807
where: short stacking energy: -81.031
Base-Backbone interact. energy: 0.333
local terms energy: -82.822726
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -22.829
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: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -180.264613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.264613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.264613 (E_RNA)
where:
Base-Base interactions energy: -100.723
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.024
local terms energy: -79.518264
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -19.626
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: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -193.132670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.132670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.132670 (E_RNA)
where:
Base-Base interactions energy: -123.392
where: short stacking energy: -70.461
Base-Backbone interact. energy: 1.917
local terms energy: -71.657864
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -8.144
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: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -185.173750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.173750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.173750 (E_RNA)
where:
Base-Base interactions energy: -106.799
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.013
local terms energy: -78.362303
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -163.230298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.230298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.230298 (E_RNA)
where:
Base-Base interactions energy: -96.393
where: short stacking energy: -54.558
Base-Backbone interact. energy: -0.186
local terms energy: -66.651310
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -95.487982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.487982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.487982 (E_RNA)
where:
Base-Base interactions energy: -34.646
where: short stacking energy: -34.018
Base-Backbone interact. energy: -0.056
local terms energy: -60.786300
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -6.771
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: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -100.988413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.988413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.988413 (E_RNA)
where:
Base-Base interactions energy: -47.412
where: short stacking energy: -47.404
Base-Backbone interact. energy: -0.059
local terms energy: -53.517305
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -128.052604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.052604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.052604 (E_RNA)
where:
Base-Base interactions energy: -83.011
where: short stacking energy: -28.558
Base-Backbone interact. energy: -0.121
local terms energy: -44.920248
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -91.623196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.623196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.623196 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -29.434
Base-Backbone interact. energy: 0.640
local terms energy: -58.311337
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -195.615523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.615523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.615523 (E_RNA)
where:
Base-Base interactions energy: -121.884
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.656
local terms energy: -73.075466
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.869
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: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -194.000592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.000592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.000592 (E_RNA)
where:
Base-Base interactions energy: -124.309
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.147
local terms energy: -69.545129
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -192.057509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.057509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.057509 (E_RNA)
where:
Base-Base interactions energy: -117.813
where: short stacking energy: -66.134
Base-Backbone interact. energy: -0.827
local terms energy: -73.417289
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -18.539
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: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -154.953699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.953699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.953699 (E_RNA)
where:
Base-Base interactions energy: -88.616
where: short stacking energy: -50.370
Base-Backbone interact. energy: -0.042
local terms energy: -66.295919
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -7.061
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: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -176.996014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.996014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.996014 (E_RNA)
where:
Base-Base interactions energy: -112.665
where: short stacking energy: -63.606
Base-Backbone interact. energy: -0.018
local terms energy: -64.312328
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -19.794
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: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -163.771263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.771263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.771263 (E_RNA)
where:
Base-Base interactions energy: -92.782
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.218
local terms energy: -70.771462
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -83.040897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.040897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.040897 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -29.818
Base-Backbone interact. energy: 1.247
local terms energy: -54.344828
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -8.983
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: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -120.539073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.539073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.539073 (E_RNA)
where:
Base-Base interactions energy: -60.797
where: short stacking energy: -38.988
Base-Backbone interact. energy: -0.139
local terms energy: -59.603116
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -81.671706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.671706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.671706 (E_RNA)
where:
Base-Base interactions energy: -27.251
where: short stacking energy: -27.251
Base-Backbone interact. energy: -0.126
local terms energy: -54.293880
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -114.607613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.607613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.607613 (E_RNA)
where:
Base-Base interactions energy: -62.424
where: short stacking energy: -34.186
Base-Backbone interact. energy: 0.146
local terms energy: -52.330317
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.104
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: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -196.135234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.135234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.135234 (E_RNA)
where:
Base-Base interactions energy: -117.206
where: short stacking energy: -68.327
Base-Backbone interact. energy: -1.134
local terms energy: -77.795270
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -194.174918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.174918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.174918 (E_RNA)
where:
Base-Base interactions energy: -117.908
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.042
local terms energy: -76.224606
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -182.281984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.281984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.281984 (E_RNA)
where:
Base-Base interactions energy: -115.459
where: short stacking energy: -51.543
Base-Backbone interact. energy: -0.192
local terms energy: -66.631403
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -12.280
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: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -193.983684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.983684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.983684 (E_RNA)
where:
Base-Base interactions energy: -116.052
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.026
local terms energy: -77.906119
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -13.968
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: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -154.538377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.538377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.538377 (E_RNA)
where:
Base-Base interactions energy: -88.209
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.208
local terms energy: -66.121382
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -165.604855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.604855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.604855 (E_RNA)
where:
Base-Base interactions energy: -97.262
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.052
local terms energy: -68.290131
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -14.282
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: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -89.510048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.510048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.510048 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.319
local terms energy: -54.664739
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -101.015546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.015546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.015546 (E_RNA)
where:
Base-Base interactions energy: -49.434
where: short stacking energy: -25.317
Base-Backbone interact. energy: -0.395
local terms energy: -51.186804
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -9.060
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: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -83.965863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.965863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.965863 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -25.649
Base-Backbone interact. energy: 4.469
local terms energy: -53.676093
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -4.202
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: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -75.249667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.249667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.249667 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.197
local terms energy: -46.313067
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -200.975767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.975767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.975767 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.291
local terms energy: -77.349047
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -195.882551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.882551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.882551 (E_RNA)
where:
Base-Base interactions energy: -122.902
where: short stacking energy: -69.690
Base-Backbone interact. energy: -0.004
local terms energy: -72.976970
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -196.285160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.285160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.285160 (E_RNA)
where:
Base-Base interactions energy: -117.356
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.025
local terms energy: -78.903646
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -182.243606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.243606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.243606 (E_RNA)
where:
Base-Base interactions energy: -113.640
where: short stacking energy: -54.572
Base-Backbone interact. energy: -0.270
local terms energy: -68.333298
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -166.078307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.078307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.078307 (E_RNA)
where:
Base-Base interactions energy: -94.820
where: short stacking energy: -52.221
Base-Backbone interact. energy: -0.012
local terms energy: -71.245872
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -151.723739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.723739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.723739 (E_RNA)
where:
Base-Base interactions energy: -93.121
where: short stacking energy: -54.367
Base-Backbone interact. energy: 1.989
local terms energy: -60.592033
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -101.288492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.288492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.288492 (E_RNA)
where:
Base-Base interactions energy: -52.250
where: short stacking energy: -33.354
Base-Backbone interact. energy: -0.210
local terms energy: -48.828628
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -3.114
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -125.658911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.658911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.658911 (E_RNA)
where:
Base-Base interactions energy: -72.300
where: short stacking energy: -42.368
Base-Backbone interact. energy: -0.023
local terms energy: -53.336378
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -89.139675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.139675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.139675 (E_RNA)
where:
Base-Base interactions energy: -35.388
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.045
local terms energy: -53.707157
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -78.397306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.397306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.397306 (E_RNA)
where:
Base-Base interactions energy: -30.443
where: short stacking energy: -30.443
Base-Backbone interact. energy: -0.042
local terms energy: -47.912572
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -192.926381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.926381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.926381 (E_RNA)
where:
Base-Base interactions energy: -115.228
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.008
local terms energy: -77.691068
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -213.789599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.789599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.789599 (E_RNA)
where:
Base-Base interactions energy: -131.631
where: short stacking energy: -78.435
Base-Backbone interact. energy: -0.010
local terms energy: -82.148205
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -188.521644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.521644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.521644 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.009
local terms energy: -74.547040
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -172.268185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.268185 (E_RNA)
where:
Base-Base interactions energy: -100.355
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.509
local terms energy: -71.404770
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -180.392735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.392735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.392735 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -45.742
Base-Backbone interact. energy: -0.261
local terms energy: -64.590245
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -10.848
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: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -156.557397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.557397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.557397 (E_RNA)
where:
Base-Base interactions energy: -90.232
where: short stacking energy: -41.933
Base-Backbone interact. energy: -1.010
local terms energy: -65.316212
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -6.095
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: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -98.528693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.528693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.528693 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.024
local terms energy: -51.858355
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -129.898433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.898433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.898433 (E_RNA)
where:
Base-Base interactions energy: -67.422
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.292
local terms energy: -62.184245
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -89.144147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.144147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.144147 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.198
local terms energy: -58.914739
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -5.104
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: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -81.084083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.084083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.084083 (E_RNA)
where:
Base-Base interactions energy: -25.932
where: short stacking energy: -25.550
Base-Backbone interact. energy: 3.379
local terms energy: -58.530456
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -10.172
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: 192
Temperature: 0.900000
Total energy: -204.266333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.266333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.266333 (E_RNA)
where:
Base-Base interactions energy: -126.542
where: short stacking energy: -61.959
Base-Backbone interact. energy: 0.160
local terms energy: -77.883737
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -197.898230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.898230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.898230 (E_RNA)
where:
Base-Base interactions energy: -123.150
where: short stacking energy: -69.861
Base-Backbone interact. energy: -0.120
local terms energy: -74.628626
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -12.131
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: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -174.818821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.818821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.818821 (E_RNA)
where:
Base-Base interactions energy: -97.118
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.033
local terms energy: -77.667653
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -185.843537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.843537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.843537 (E_RNA)
where:
Base-Base interactions energy: -108.959
where: short stacking energy: -63.735
Base-Backbone interact. energy: 1.568
local terms energy: -78.452545
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -179.315397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315397 (E_RNA)
where:
Base-Base interactions energy: -111.045
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.606
local terms energy: -67.664121
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -163.273643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.273643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.273643 (E_RNA)
where:
Base-Base interactions energy: -96.906
where: short stacking energy: -56.311
Base-Backbone interact. energy: -0.014
local terms energy: -66.353569
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -157.212330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.212330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.212330 (E_RNA)
where:
Base-Base interactions energy: -100.258
where: short stacking energy: -47.983
Base-Backbone interact. energy: -0.192
local terms energy: -56.762301
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -96.120930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120930 (E_RNA)
where:
Base-Base interactions energy: -41.232
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.043
local terms energy: -54.846119
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -94.927381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.927381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.927381 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.002
local terms energy: -60.569096
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -10.989
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: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -76.857686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.857686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.857686 (E_RNA)
where:
Base-Base interactions energy: -23.948
where: short stacking energy: -24.248
Base-Backbone interact. energy: -0.233
local terms energy: -52.676685
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -208.196522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.196522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.196522 (E_RNA)
where:
Base-Base interactions energy: -126.184
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.108
local terms energy: -81.904037
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -199.911804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.911804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.911804 (E_RNA)
where:
Base-Base interactions energy: -127.732
where: short stacking energy: -68.873
Base-Backbone interact. energy: 0.229
local terms energy: -72.408261
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -175.068390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.068390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.068390 (E_RNA)
where:
Base-Base interactions energy: -100.389
where: short stacking energy: -55.981
Base-Backbone interact. energy: -0.092
local terms energy: -74.587420
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -189.993707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.993707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.993707 (E_RNA)
where:
Base-Base interactions energy: -115.314
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.003
local terms energy: -74.676340
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -175.011057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.011057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.011057 (E_RNA)
where:
Base-Base interactions energy: -103.786
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.094
local terms energy: -71.131607
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -150.468912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.468912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.468912 (E_RNA)
where:
Base-Base interactions energy: -75.876
where: short stacking energy: -45.528
Base-Backbone interact. energy: -0.002
local terms energy: -74.590708
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -164.574658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.574658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.574658 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.150
local terms energy: -49.861081
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -96.876856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.876856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.876856 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -41.441
Base-Backbone interact. energy: -0.504
local terms energy: -54.878333
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -7.566
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: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -110.748330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.748330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.748330 (E_RNA)
where:
Base-Base interactions energy: -46.435
where: short stacking energy: -26.010
Base-Backbone interact. energy: -0.529
local terms energy: -63.784559
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -4.804
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: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -72.783752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.783752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.783752 (E_RNA)
where:
Base-Base interactions energy: -27.176
where: short stacking energy: -29.423
Base-Backbone interact. energy: 0.319
local terms energy: -45.927005
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -4.462
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: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -211.376752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.376752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.376752 (E_RNA)
where:
Base-Base interactions energy: -134.465
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.268
local terms energy: -76.644541
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -200.941818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.941818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.941818 (E_RNA)
where:
Base-Base interactions energy: -116.589
where: short stacking energy: -66.460
Base-Backbone interact. energy: 0.091
local terms energy: -84.443506
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -18.773
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: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -194.838766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.838766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.838766 (E_RNA)
where:
Base-Base interactions energy: -123.835
where: short stacking energy: -72.914
Base-Backbone interact. energy: -0.005
local terms energy: -70.998349
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -165.293617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.293617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293617 (E_RNA)
where:
Base-Base interactions energy: -94.650
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.072
local terms energy: -70.572092
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -11.352
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: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -179.823488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.823488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.823488 (E_RNA)
where:
Base-Base interactions energy: -113.336
where: short stacking energy: -55.099
Base-Backbone interact. energy: -0.188
local terms energy: -66.299563
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -156.516794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.516794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.516794 (E_RNA)
where:
Base-Base interactions energy: -93.190
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.643
local terms energy: -62.684135
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -155.376291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.376291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.376291 (E_RNA)
where:
Base-Base interactions energy: -98.152
where: short stacking energy: -48.731
Base-Backbone interact. energy: -0.111
local terms energy: -57.113194
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -3.146
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -90.531839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531839 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.020
local terms energy: -60.363578
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -85.348226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.348226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.348226 (E_RNA)
where:
Base-Base interactions energy: -32.638
where: short stacking energy: -32.638
Base-Backbone interact. energy: -0.004
local terms energy: -52.706081
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -86.354103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.354103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.354103 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -32.567
Base-Backbone interact. energy: -0.090
local terms energy: -53.696919
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -191.013609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.013609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.013609 (E_RNA)
where:
Base-Base interactions energy: -117.356
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.027
local terms energy: -73.630524
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -204.140539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140539 (E_RNA)
where:
Base-Base interactions energy: -133.926
where: short stacking energy: -67.517
Base-Backbone interact. energy: 1.459
local terms energy: -71.673371
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -14.134
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: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -203.522508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.522508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.522508 (E_RNA)
where:
Base-Base interactions energy: -125.056
where: short stacking energy: -71.910
Base-Backbone interact. energy: -0.064
local terms energy: -78.401754
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -184.009166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.009166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.009166 (E_RNA)
where:
Base-Base interactions energy: -112.248
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.683
local terms energy: -71.078488
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -13.258
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: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -147.352097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.352097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.352097 (E_RNA)
where:
Base-Base interactions energy: -83.625
where: short stacking energy: -51.102
Base-Backbone interact. energy: -0.181
local terms energy: -63.546260
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -166.619731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.619731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.619731 (E_RNA)
where:
Base-Base interactions energy: -102.076
where: short stacking energy: -44.946
Base-Backbone interact. energy: -0.051
local terms energy: -64.492594
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -149.953461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.953461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.953461 (E_RNA)
where:
Base-Base interactions energy: -82.349
where: short stacking energy: -43.518
Base-Backbone interact. energy: -0.111
local terms energy: -67.493632
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -8.963
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -97.119775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.119775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.119775 (E_RNA)
where:
Base-Base interactions energy: -49.681
where: short stacking energy: -31.932
Base-Backbone interact. energy: -0.333
local terms energy: -47.106621
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -91.721457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.721457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.721457 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.126
local terms energy: -57.323637
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -84.077893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.077893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.077893 (E_RNA)
where:
Base-Base interactions energy: -27.424
where: short stacking energy: -15.830
Base-Backbone interact. energy: -0.182
local terms energy: -56.471001
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -11.497
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: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -190.453834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453834 (E_RNA)
where:
Base-Base interactions energy: -115.759
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.109
local terms energy: -74.585251
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -8.369
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -192.443637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.443637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.443637 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -65.700
Base-Backbone interact. energy: 0.535
local terms energy: -78.064989
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -189.115948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.115948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.115948 (E_RNA)
where:
Base-Base interactions energy: -118.812
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.280
local terms energy: -70.023389
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -198.821866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.821866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.821866 (E_RNA)
where:
Base-Base interactions energy: -118.447
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.077
local terms energy: -80.298080
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -13.089
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: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -172.143094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.143094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.143094 (E_RNA)
where:
Base-Base interactions energy: -104.236
where: short stacking energy: -51.756
Base-Backbone interact. energy: -0.025
local terms energy: -67.882019
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -152.614224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.614224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.614224 (E_RNA)
where:
Base-Base interactions energy: -98.130
where: short stacking energy: -43.613
Base-Backbone interact. energy: -0.316
local terms energy: -54.168275
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -149.535319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.535319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.535319 (E_RNA)
where:
Base-Base interactions energy: -87.843
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.529
local terms energy: -61.163609
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -74.462328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.462328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.462328 (E_RNA)
where:
Base-Base interactions energy: -18.208
where: short stacking energy: -18.408
Base-Backbone interact. energy: -0.304
local terms energy: -55.951269
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -107.477516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.477516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.477516 (E_RNA)
where:
Base-Base interactions energy: -52.409
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.038
local terms energy: -55.029978
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -10.872
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: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -84.017318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.017318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.017318 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.041
local terms energy: -49.229809
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -204.443753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.443753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.443753 (E_RNA)
where:
Base-Base interactions energy: -120.327
where: short stacking energy: -74.388
Base-Backbone interact. energy: -0.044
local terms energy: -84.072189
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -182.399624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.399624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.399624 (E_RNA)
where:
Base-Base interactions energy: -113.378
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.099
local terms energy: -68.922382
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.803
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: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -171.109136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.109136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.109136 (E_RNA)
where:
Base-Base interactions energy: -91.016
where: short stacking energy: -55.408
Base-Backbone interact. energy: -1.144
local terms energy: -78.948711
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -196.575271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.575271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.575271 (E_RNA)
where:
Base-Base interactions energy: -120.698
where: short stacking energy: -69.213
Base-Backbone interact. energy: -0.600
local terms energy: -75.277628
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -9.523
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: 197
Temperature: 1.100000
Total energy: -179.094207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094207 (E_RNA)
where:
Base-Base interactions energy: -107.174
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.142
local terms energy: -71.778341
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -162.225203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.225203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.225203 (E_RNA)
where:
Base-Base interactions energy: -93.485
where: short stacking energy: -53.999
Base-Backbone interact. energy: -0.342
local terms energy: -68.397788
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -135.534681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.534681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.534681 (E_RNA)
where:
Base-Base interactions energy: -79.361
where: short stacking energy: -37.223
Base-Backbone interact. energy: -1.577
local terms energy: -54.596588
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -84.070111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.070111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.070111 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.323
local terms energy: -50.138556
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -87.969590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.969590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.969590 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.189
local terms energy: -57.182081
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -85.908125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.908125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.908125 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -29.759
Base-Backbone interact. energy: -0.231
local terms energy: -51.166238
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -8.355
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -191.884029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.884029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.884029 (E_RNA)
where:
Base-Base interactions energy: -115.836
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.647
local terms energy: -75.401502
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -10.853
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: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -199.158453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.158453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.158453 (E_RNA)
where:
Base-Base interactions energy: -117.393
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.316
local terms energy: -81.448807
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -21.517
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: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -189.024755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.024755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.024755 (E_RNA)
where:
Base-Base interactions energy: -113.259
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.505
local terms energy: -75.261047
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -157.127224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.127224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.127224 (E_RNA)
where:
Base-Base interactions energy: -88.582
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.114
local terms energy: -68.431045
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -177.320354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.320354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.320354 (E_RNA)
where:
Base-Base interactions energy: -112.361
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.041
local terms energy: -64.918017
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -162.353817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.353817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.353817 (E_RNA)
where:
Base-Base interactions energy: -96.714
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.067
local terms energy: -65.573459
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -89.523299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.523299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.523299 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -33.972
Base-Backbone interact. energy: -0.528
local terms energy: -53.267404
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -134.300503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.300503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.300503 (E_RNA)
where:
Base-Base interactions energy: -73.891
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.037
local terms energy: -60.372218
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -92.763385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.763385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.763385 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.107
local terms energy: -47.461026
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -84.943288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943288 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -23.783
Base-Backbone interact. energy: 0.202
local terms energy: -51.998491
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -202.684807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.684807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.684807 (E_RNA)
where:
Base-Base interactions energy: -129.394
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.210
local terms energy: -73.080928
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -212.147046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.147046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.147046 (E_RNA)
where:
Base-Base interactions energy: -133.269
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.086
local terms energy: -78.792732
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -195.080328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.080328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.080328 (E_RNA)
where:
Base-Base interactions energy: -119.721
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.005
local terms energy: -75.354395
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -194.760498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.760498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.760498 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -57.558
Base-Backbone interact. energy: -0.018
local terms energy: -71.217946
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -19.465
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -151.160625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.160625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.160625 (E_RNA)
where:
Base-Base interactions energy: -85.402
where: short stacking energy: -49.127
Base-Backbone interact. energy: -0.033
local terms energy: -65.725780
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -10.891
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: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -155.261851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.261851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.261851 (E_RNA)
where:
Base-Base interactions energy: -93.153
where: short stacking energy: -53.379
Base-Backbone interact. energy: -0.036
local terms energy: -62.073553
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -102.724908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.724908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.724908 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.217
local terms energy: -63.039444
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -146.767148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.767148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.767148 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.012
local terms energy: -57.794962
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -84.002485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002485 (E_RNA)
where:
Base-Base interactions energy: -26.394
where: short stacking energy: -20.675
Base-Backbone interact. energy: -0.435
local terms energy: -57.173296
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -81.271387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.271387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.271387 (E_RNA)
where:
Base-Base interactions energy: -26.213
where: short stacking energy: -26.213
Base-Backbone interact. energy: -0.048
local terms energy: -55.010637
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -208.858531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.858531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.858531 (E_RNA)
where:
Base-Base interactions energy: -136.651
where: short stacking energy: -74.519
Base-Backbone interact. energy: -0.069
local terms energy: -72.138648
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -21.000
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: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -182.700417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.700417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.700417 (E_RNA)
where:
Base-Base interactions energy: -111.687
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.456
local terms energy: -70.557076
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -196.620461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.620461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.620461 (E_RNA)
where:
Base-Base interactions energy: -120.425
where: short stacking energy: -69.540
Base-Backbone interact. energy: -0.235
local terms energy: -75.961418
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -188.463835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.463835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.463835 (E_RNA)
where:
Base-Base interactions energy: -118.590
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.105
local terms energy: -69.768088
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -162.681680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.681680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.681680 (E_RNA)
where:
Base-Base interactions energy: -95.643
where: short stacking energy: -48.445
Base-Backbone interact. energy: 0.156
local terms energy: -67.194163
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -128.795140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.795140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.795140 (E_RNA)
where:
Base-Base interactions energy: -68.358
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.113
local terms energy: -60.324549
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -148.970745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.970745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.970745 (E_RNA)
where:
Base-Base interactions energy: -97.931
where: short stacking energy: -49.648
Base-Backbone interact. energy: 0.852
local terms energy: -51.892202
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -92.673315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.673315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.673315 (E_RNA)
where:
Base-Base interactions energy: -40.100
where: short stacking energy: -28.039
Base-Backbone interact. energy: -0.136
local terms energy: -52.437822
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -5.099
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: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -90.636175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.636175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.636175 (E_RNA)
where:
Base-Base interactions energy: -35.422
where: short stacking energy: -24.063
Base-Backbone interact. energy: -0.335
local terms energy: -54.879050
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -88.296745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.296745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.296745 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -20.263
Base-Backbone interact. energy: -0.239
local terms energy: -52.110648
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -5.929
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: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -204.565033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.565033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.565033 (E_RNA)
where:
Base-Base interactions energy: -123.619
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.087
local terms energy: -80.858989
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -211.545356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.545356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.545356 (E_RNA)
where:
Base-Base interactions energy: -130.942
where: short stacking energy: -81.593
Base-Backbone interact. energy: -0.002
local terms energy: -80.601918
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -183.357364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.357364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.357364 (E_RNA)
where:
Base-Base interactions energy: -112.062
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.051
local terms energy: -71.244610
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -12.085
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: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -192.411755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.411755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.411755 (E_RNA)
where:
Base-Base interactions energy: -116.834
where: short stacking energy: -68.202
Base-Backbone interact. energy: -0.613
local terms energy: -74.964328
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -157.578921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.578921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.578921 (E_RNA)
where:
Base-Base interactions energy: -100.382
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.060
local terms energy: -57.136542
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -149.114163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.114163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.114163 (E_RNA)
where:
Base-Base interactions energy: -80.836
where: short stacking energy: -40.018
Base-Backbone interact. energy: -0.403
local terms energy: -67.874605
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -116.891726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.891726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.891726 (E_RNA)
where:
Base-Base interactions energy: -56.202
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.187
local terms energy: -60.502388
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -135.891489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.891489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.891489 (E_RNA)
where:
Base-Base interactions energy: -84.083
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.187
local terms energy: -51.621141
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -92.793468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.793468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.793468 (E_RNA)
where:
Base-Base interactions energy: -39.773
where: short stacking energy: -28.442
Base-Backbone interact. energy: 0.035
local terms energy: -53.055155
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -83.427677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.427677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.427677 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.066
local terms energy: -49.634356
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -210.735310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.735310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.735310 (E_RNA)
where:
Base-Base interactions energy: -121.641
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.101
local terms energy: -88.993176
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -208.764673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.764673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.764673 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.018
local terms energy: -68.474456
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -185.457875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.457875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.457875 (E_RNA)
where:
Base-Base interactions energy: -110.517
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.058
local terms energy: -74.882198
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -173.335344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335344 (E_RNA)
where:
Base-Base interactions energy: -114.887
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.119
local terms energy: -58.329962
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.024
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: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -161.666607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.666607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.666607 (E_RNA)
where:
Base-Base interactions energy: -104.932
where: short stacking energy: -57.408
Base-Backbone interact. energy: 1.889
local terms energy: -58.623681
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -149.241990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.241990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.241990 (E_RNA)
where:
Base-Base interactions energy: -88.465
where: short stacking energy: -52.202
Base-Backbone interact. energy: -0.104
local terms energy: -60.672738
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -159.429007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.429007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.429007 (E_RNA)
where:
Base-Base interactions energy: -89.007
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.004
local terms energy: -70.417578
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -88.093765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.093765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.093765 (E_RNA)
where:
Base-Base interactions energy: -33.625
where: short stacking energy: -32.434
Base-Backbone interact. energy: -0.108
local terms energy: -54.360591
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -1.741
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: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -86.221900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.221900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.221900 (E_RNA)
where:
Base-Base interactions energy: -34.577
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.067
local terms energy: -51.577893
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -8.727
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: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -92.795864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.795864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.795864 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -31.122
Base-Backbone interact. energy: 0.548
local terms energy: -60.387202
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -210.776856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.776856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.776856 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -76.726
Base-Backbone interact. energy: -0.005
local terms energy: -80.327603
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -189.384915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.384915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.384915 (E_RNA)
where:
Base-Base interactions energy: -109.856
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.009
local terms energy: -79.519833
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -15.608
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: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -203.116503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.116503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.116503 (E_RNA)
where:
Base-Base interactions energy: -137.300
where: short stacking energy: -65.855
Base-Backbone interact. energy: -0.009
local terms energy: -65.807485
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -167.045834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.045834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.045834 (E_RNA)
where:
Base-Base interactions energy: -100.842
where: short stacking energy: -48.689
Base-Backbone interact. energy: -0.965
local terms energy: -65.238292
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -14.197
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -124.834324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.834324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.834324 (E_RNA)
where:
Base-Base interactions energy: -58.570
where: short stacking energy: -30.859
Base-Backbone interact. energy: -0.201
local terms energy: -66.063629
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -9.845
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: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -160.139493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.139493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.139493 (E_RNA)
where:
Base-Base interactions energy: -93.717
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.034
local terms energy: -66.388288
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -13.028
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: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -144.594689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.594689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.594689 (E_RNA)
where:
Base-Base interactions energy: -75.093
where: short stacking energy: -39.030
Base-Backbone interact. energy: 0.577
local terms energy: -70.078740
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -95.205679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.205679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.205679 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -36.238
Base-Backbone interact. energy: -0.014
local terms energy: -58.953771
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -87.944892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944892 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -33.515
Base-Backbone interact. energy: -0.163
local terms energy: -54.266582
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -7.252
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -78.730473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730473 (E_RNA)
where:
Base-Base interactions energy: -26.019
where: short stacking energy: -25.005
Base-Backbone interact. energy: -0.540
local terms energy: -52.170714
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -196.283693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.283693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.283693 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.057
local terms energy: -72.262406
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -14.469
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: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -197.120154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.120154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.120154 (E_RNA)
where:
Base-Base interactions energy: -129.511
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.134
local terms energy: -67.475060
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -4.737
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: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -175.208604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.208604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.208604 (E_RNA)
where:
Base-Base interactions energy: -99.650
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.193
local terms energy: -75.365737
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -13.658
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: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -194.110504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.110504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.110504 (E_RNA)
where:
Base-Base interactions energy: -118.316
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.025
local terms energy: -75.769443
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -165.283942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.283942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.283942 (E_RNA)
where:
Base-Base interactions energy: -98.014
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.003
local terms energy: -67.267113
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -5.518
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: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -111.260218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.260218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.260218 (E_RNA)
where:
Base-Base interactions energy: -49.811
where: short stacking energy: -46.021
Base-Backbone interact. energy: -0.062
local terms energy: -61.387316
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -136.211008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.211008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.211008 (E_RNA)
where:
Base-Base interactions energy: -78.578
where: short stacking energy: -45.019
Base-Backbone interact. energy: 0.326
local terms energy: -57.959298
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -90.771074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.771074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.771074 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -34.842
Base-Backbone interact. energy: -0.036
local terms energy: -55.893011
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -6.009
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: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -93.260685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.260685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.260685 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -36.546
Base-Backbone interact. energy: -0.240
local terms energy: -56.474699
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -79.752827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.752827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.752827 (E_RNA)
where:
Base-Base interactions energy: -33.597
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.577
local terms energy: -45.578496
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -1.591
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -197.791475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.791475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.791475 (E_RNA)
where:
Base-Base interactions energy: -117.958
where: short stacking energy: -68.722
Base-Backbone interact. energy: -0.032
local terms energy: -79.800969
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -13.280
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: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -204.811658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.811658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.811658 (E_RNA)
where:
Base-Base interactions energy: -124.520
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.697
local terms energy: -79.594484
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -175.551612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.551612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.551612 (E_RNA)
where:
Base-Base interactions energy: -103.317
where: short stacking energy: -55.366
Base-Backbone interact. energy: -0.092
local terms energy: -72.142818
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -10.343
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -194.118237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.118237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.118237 (E_RNA)
where:
Base-Base interactions energy: -114.520
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.000
local terms energy: -79.597881
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -154.343790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.343790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.343790 (E_RNA)
where:
Base-Base interactions energy: -88.280
where: short stacking energy: -48.830
Base-Backbone interact. energy: -0.119
local terms energy: -65.944450
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -10.752
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: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -104.946006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.946006 (E_RNA)
where:
Base-Base interactions energy: -52.084
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.011
local terms energy: -52.850871
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -110.485158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.485158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.485158 (E_RNA)
where:
Base-Base interactions energy: -55.361
where: short stacking energy: -39.902
Base-Backbone interact. energy: -0.127
local terms energy: -54.997545
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -94.952736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952736 (E_RNA)
where:
Base-Base interactions energy: -44.919
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.123
local terms energy: -49.910597
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -7.301
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -78.430600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430600 (E_RNA)
where:
Base-Base interactions energy: -26.386
where: short stacking energy: -26.386
Base-Backbone interact. energy: 1.008
local terms energy: -53.052308
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -78.388867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.388867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.388867 (E_RNA)
where:
Base-Base interactions energy: -31.276
where: short stacking energy: -21.444
Base-Backbone interact. energy: -0.440
local terms energy: -46.673165
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -7.234
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: 0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -204.913714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.913714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.913714 (E_RNA)
where:
Base-Base interactions energy: -129.045
where: short stacking energy: -78.340
Base-Backbone interact. energy: -0.541
local terms energy: -75.328021
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -195.141762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.141762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.141762 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.131
local terms energy: -76.879567
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -172.848998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.848998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.848998 (E_RNA)
where:
Base-Base interactions energy: -109.198
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.076
local terms energy: -63.574691
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.359
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: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -171.945396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.945396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.945396 (E_RNA)
where:
Base-Base interactions energy: -105.763
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.087
local terms energy: -66.095562
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -170.630644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.630644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.630644 (E_RNA)
where:
Base-Base interactions energy: -101.234
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.013
local terms energy: -69.383890
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -103.824430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.824430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.824430 (E_RNA)
where:
Base-Base interactions energy: -40.837
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.097
local terms energy: -62.890543
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -10.465
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -109.633336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.633336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.633336 (E_RNA)
where:
Base-Base interactions energy: -52.336
where: short stacking energy: -52.336
Base-Backbone interact. energy: -0.196
local terms energy: -57.101068
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -6.459
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: 206
Temperature: 1.250000
Total energy: -100.308277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.308277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.308277 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -39.509
Base-Backbone interact. energy: -0.004
local terms energy: -60.795332
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -10.704
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: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -82.699811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699811 (E_RNA)
where:
Base-Base interactions energy: -36.678
where: short stacking energy: -18.651
Base-Backbone interact. energy: -0.180
local terms energy: -45.841602
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: 4.750
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: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -82.422224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.422224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.422224 (E_RNA)
where:
Base-Base interactions energy: -21.635
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.975
local terms energy: -59.811743
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -198.407166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.407166 (E_RNA)
where:
Base-Base interactions energy: -123.086
where: short stacking energy: -64.622
Base-Backbone interact. energy: -0.217
local terms energy: -75.104041
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -203.100935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.100935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.100935 (E_RNA)
where:
Base-Base interactions energy: -127.532
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.009
local terms energy: -75.559916
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -7.085
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: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -192.330038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.330038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.330038 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.114
local terms energy: -72.180524
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -154.849632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.849632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.849632 (E_RNA)
where:
Base-Base interactions energy: -89.555
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.204
local terms energy: -65.091189
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -155.926350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.926350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.926350 (E_RNA)
where:
Base-Base interactions energy: -93.515
where: short stacking energy: -53.048
Base-Backbone interact. energy: -0.031
local terms energy: -62.380385
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -103.164520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.164520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.164520 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.220
local terms energy: -54.664646
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.650
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -100.065506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.065506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.065506 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.822
local terms energy: -66.574644
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -109.797404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.797404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.797404 (E_RNA)
where:
Base-Base interactions energy: -53.631
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.067
local terms energy: -56.099974
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -89.602569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602569 (E_RNA)
where:
Base-Base interactions energy: -39.304
where: short stacking energy: -39.304
Base-Backbone interact. energy: -0.117
local terms energy: -50.181288
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -84.231222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231222 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.148
local terms energy: -43.303683
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -1.234
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: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -209.060575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.060575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.060575 (E_RNA)
where:
Base-Base interactions energy: -124.488
where: short stacking energy: -69.390
Base-Backbone interact. energy: -0.007
local terms energy: -84.565999
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -188.836795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.836795 (E_RNA)
where:
Base-Base interactions energy: -112.022
where: short stacking energy: -63.039
Base-Backbone interact. energy: -0.122
local terms energy: -76.693631
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -182.584596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.584596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.584596 (E_RNA)
where:
Base-Base interactions energy: -110.906
where: short stacking energy: -55.706
Base-Backbone interact. energy: -0.240
local terms energy: -71.438219
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -177.881266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.881266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.881266 (E_RNA)
where:
Base-Base interactions energy: -103.412
where: short stacking energy: -67.050
Base-Backbone interact. energy: -0.013
local terms energy: -74.456052
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -11.100
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: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -135.724275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.724275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.724275 (E_RNA)
where:
Base-Base interactions energy: -69.098
where: short stacking energy: -33.960
Base-Backbone interact. energy: 0.162
local terms energy: -66.787473
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -150.567002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.567002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.567002 (E_RNA)
where:
Base-Base interactions energy: -83.926
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.354
local terms energy: -66.287239
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.114
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: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -89.539423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.539423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.539423 (E_RNA)
where:
Base-Base interactions energy: -30.531
where: short stacking energy: -26.736
Base-Backbone interact. energy: 0.126
local terms energy: -59.134058
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -148.629980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.629980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.629980 (E_RNA)
where:
Base-Base interactions energy: -85.138
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.002
local terms energy: -63.490122
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -77.043620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.043620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.043620 (E_RNA)
where:
Base-Base interactions energy: -21.453
where: short stacking energy: -19.176
Base-Backbone interact. energy: -0.281
local terms energy: -55.309572
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -108.301555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.301555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.301555 (E_RNA)
where:
Base-Base interactions energy: -66.573
where: short stacking energy: -27.401
Base-Backbone interact. energy: 2.378
local terms energy: -44.105706
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -1.120
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -218.358078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.358078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.358078 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.003
local terms energy: -83.297700
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -21.034
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: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -185.189704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.189704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.189704 (E_RNA)
where:
Base-Base interactions energy: -111.919
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.249
local terms energy: -73.022073
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -190.124721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.124721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.124721 (E_RNA)
where:
Base-Base interactions energy: -116.430
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.003
local terms energy: -73.692000
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -175.041819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.041819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.041819 (E_RNA)
where:
Base-Base interactions energy: -100.814
where: short stacking energy: -56.249
Base-Backbone interact. energy: -1.000
local terms energy: -73.228128
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -154.219075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.219075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.219075 (E_RNA)
where:
Base-Base interactions energy: -89.725
where: short stacking energy: -49.125
Base-Backbone interact. energy: -0.074
local terms energy: -64.419449
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -160.676267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.676267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.676267 (E_RNA)
where:
Base-Base interactions energy: -91.837
where: short stacking energy: -43.433
Base-Backbone interact. energy: -0.302
local terms energy: -68.538009
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -89.557550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.557550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.557550 (E_RNA)
where:
Base-Base interactions energy: -42.300
where: short stacking energy: -40.437
Base-Backbone interact. energy: -0.106
local terms energy: -47.150795
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -145.428546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.428546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.428546 (E_RNA)
where:
Base-Base interactions energy: -80.516
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.175
local terms energy: -64.737561
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -84.808303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.808303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.808303 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -29.176
Base-Backbone interact. energy: 0.003
local terms energy: -43.399365
where:
bonds (distance) C4'-P energy: -7.218
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -81.520077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.520077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.520077 (E_RNA)
where:
Base-Base interactions energy: -29.354
where: short stacking energy: -29.354
Base-Backbone interact. energy: -0.121
local terms energy: -52.044607
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -2.111
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: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -205.549703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.549703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.549703 (E_RNA)
where:
Base-Base interactions energy: -135.651
where: short stacking energy: -76.762
Base-Backbone interact. energy: -0.672
local terms energy: -69.226882
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -189.557538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557538 (E_RNA)
where:
Base-Base interactions energy: -117.438
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.007
local terms energy: -72.112980
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -13.402
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: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -189.250030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.250030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.250030 (E_RNA)
where:
Base-Base interactions energy: -114.725
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.011
local terms energy: -74.513793
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -8.571
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: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -166.265370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.265370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.265370 (E_RNA)
where:
Base-Base interactions energy: -95.526
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.174
local terms energy: -70.564925
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -168.206957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.206957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.206957 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -58.163
Base-Backbone interact. energy: 0.143
local terms energy: -65.965424
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -15.088
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: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -138.855178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.855178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.855178 (E_RNA)
where:
Base-Base interactions energy: -78.754
where: short stacking energy: -52.736
Base-Backbone interact. energy: -0.072
local terms energy: -60.029666
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.955
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: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -108.814465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.814465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.814465 (E_RNA)
where:
Base-Base interactions energy: -51.320
where: short stacking energy: -36.868
Base-Backbone interact. energy: -0.346
local terms energy: -57.149294
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -89.825118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.825118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.825118 (E_RNA)
where:
Base-Base interactions energy: -38.719
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.067
local terms energy: -51.038812
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -5.800
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: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -103.354115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.354115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.354115 (E_RNA)
where:
Base-Base interactions energy: -39.890
where: short stacking energy: -24.699
Base-Backbone interact. energy: -0.574
local terms energy: -62.889609
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -84.639213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639213 (E_RNA)
where:
Base-Base interactions energy: -33.901
where: short stacking energy: -33.901
Base-Backbone interact. energy: -0.193
local terms energy: -50.544702
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -206.852413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.852413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.852413 (E_RNA)
where:
Base-Base interactions energy: -128.939
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.034
local terms energy: -77.879647
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.647
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -194.379343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.379343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.379343 (E_RNA)
where:
Base-Base interactions energy: -122.443
where: short stacking energy: -69.174
Base-Backbone interact. energy: 2.289
local terms energy: -74.225396
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.443
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: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -184.616842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.616842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.616842 (E_RNA)
where:
Base-Base interactions energy: -116.372
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.087
local terms energy: -68.157830
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -180.752882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.752882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.752882 (E_RNA)
where:
Base-Base interactions energy: -109.929
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.622
local terms energy: -70.202218
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -173.079905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.079905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.079905 (E_RNA)
where:
Base-Base interactions energy: -98.033
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.043
local terms energy: -75.003443
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -17.056
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: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -112.925544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.925544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.925544 (E_RNA)
where:
Base-Base interactions energy: -49.454
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.005
local terms energy: -63.466197
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -9.503
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: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -103.319026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.319026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.319026 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -47.027
Base-Backbone interact. energy: 0.675
local terms energy: -56.756582
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -79.189822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.189822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.189822 (E_RNA)
where:
Base-Base interactions energy: -27.742
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.002
local terms energy: -51.445835
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -5.722
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: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -88.790033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.790033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.790033 (E_RNA)
where:
Base-Base interactions energy: -45.950
where: short stacking energy: -26.952
Base-Backbone interact. energy: -0.324
local terms energy: -42.515982
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -1.588
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -75.057512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.057512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.057512 (E_RNA)
where:
Base-Base interactions energy: -23.253
where: short stacking energy: -23.253
Base-Backbone interact. energy: -0.449
local terms energy: -51.355837
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -200.550602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.550602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.550602 (E_RNA)
where:
Base-Base interactions energy: -121.706
where: short stacking energy: -69.032
Base-Backbone interact. energy: -0.074
local terms energy: -78.771206
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -21.994
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -199.120775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.120775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.120775 (E_RNA)
where:
Base-Base interactions energy: -119.962
where: short stacking energy: -68.144
Base-Backbone interact. energy: -0.002
local terms energy: -79.156349
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -197.768717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768717 (E_RNA)
where:
Base-Base interactions energy: -113.067
where: short stacking energy: -70.660
Base-Backbone interact. energy: -0.087
local terms energy: -84.614900
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -181.582624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.582624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.582624 (E_RNA)
where:
Base-Base interactions energy: -115.342
where: short stacking energy: -64.811
Base-Backbone interact. energy: -0.012
local terms energy: -66.228877
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -17.131
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: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -169.113414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.113414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.113414 (E_RNA)
where:
Base-Base interactions energy: -106.858
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.115
local terms energy: -62.139851
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -9.890
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: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -101.197697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.197697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.197697 (E_RNA)
where:
Base-Base interactions energy: -41.272
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.212
local terms energy: -59.712743
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -7.438
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: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -94.263482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.263482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.263482 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -39.543
Base-Backbone interact. energy: -0.229
local terms energy: -53.076032
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -7.315
flat angles P-C4'-P energy: -6.097
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: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -104.846447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.846447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.846447 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.071
local terms energy: -58.504297
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.627330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.627330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.627330 (E_RNA)
where:
Base-Base interactions energy: -33.273
where: short stacking energy: -33.273
Base-Backbone interact. energy: -0.246
local terms energy: -49.107825
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -9.253
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -82.843805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.843805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.843805 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.207
local terms energy: -47.397882
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -209.929058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.929058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.929058 (E_RNA)
where:
Base-Base interactions energy: -124.331
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.160
local terms energy: -85.438002
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -198.714273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.714273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.714273 (E_RNA)
where:
Base-Base interactions energy: -120.249
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.083
local terms energy: -78.382996
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -183.859223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.859223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.859223 (E_RNA)
where:
Base-Base interactions energy: -111.457
where: short stacking energy: -56.172
Base-Backbone interact. energy: -0.068
local terms energy: -72.334086
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -16.366
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: 213
Temperature: 1.050000
Total energy: -174.743465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.743465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.743465 (E_RNA)
where:
Base-Base interactions energy: -106.766
where: short stacking energy: -61.186
Base-Backbone interact. energy: 0.019
local terms energy: -67.996812
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -194.120846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120846 (E_RNA)
where:
Base-Base interactions energy: -118.307
where: short stacking energy: -67.215
Base-Backbone interact. energy: -0.011
local terms energy: -75.803501
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -21.732
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: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -92.831508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.831508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.831508 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -34.679
Base-Backbone interact. energy: -0.345
local terms energy: -57.784051
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -99.351249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.351249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.351249 (E_RNA)
where:
Base-Base interactions energy: -40.456
where: short stacking energy: -35.513
Base-Backbone interact. energy: 0.613
local terms energy: -59.508082
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -6.710
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: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -91.095971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095971 (E_RNA)
where:
Base-Base interactions energy: -33.080
where: short stacking energy: -32.852
Base-Backbone interact. energy: -0.685
local terms energy: -57.331417
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -88.342120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.342120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.342120 (E_RNA)
where:
Base-Base interactions energy: -38.912
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.007
local terms energy: -49.423989
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.205
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: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -97.028064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.028064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.028064 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -37.275
Base-Backbone interact. energy: 1.402
local terms energy: -61.154788
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -205.240595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240595 (E_RNA)
where:
Base-Base interactions energy: -119.791
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.005
local terms energy: -85.445326
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -199.272394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.272394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.272394 (E_RNA)
where:
Base-Base interactions energy: -121.564
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.039
local terms energy: -77.669245
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -13.339
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: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -197.962863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.962863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.962863 (E_RNA)
where:
Base-Base interactions energy: -119.142
where: short stacking energy: -70.560
Base-Backbone interact. energy: -0.001
local terms energy: -78.819455
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -177.316037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.316037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.316037 (E_RNA)
where:
Base-Base interactions energy: -107.350
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.209
local terms energy: -69.757609
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -194.807624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.807624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.807624 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.040
local terms energy: -67.989069
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -112.923852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.923852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.923852 (E_RNA)
where:
Base-Base interactions energy: -46.353
where: short stacking energy: -46.353
Base-Backbone interact. energy: -0.025
local terms energy: -66.546050
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -9.073
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: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -89.342261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342261 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -33.824
Base-Backbone interact. energy: 0.706
local terms energy: -56.224392
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -8.484
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: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -112.709549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.709549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.709549 (E_RNA)
where:
Base-Base interactions energy: -58.076
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.346
local terms energy: -54.287849
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -6.855
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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -84.339875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.339875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.339875 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -24.304
Base-Backbone interact. energy: 0.773
local terms energy: -52.559318
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.960
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: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -76.504704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.504704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.504704 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -24.257
Base-Backbone interact. energy: -0.217
local terms energy: -46.886222
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -8.529
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -208.489524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.489524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.489524 (E_RNA)
where:
Base-Base interactions energy: -132.425
where: short stacking energy: -75.332
Base-Backbone interact. energy: -0.097
local terms energy: -75.967956
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -196.545560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.545560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.545560 (E_RNA)
where:
Base-Base interactions energy: -118.181
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.001
local terms energy: -78.363716
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -190.531748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.531748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.531748 (E_RNA)
where:
Base-Base interactions energy: -108.165
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.024
local terms energy: -82.342876
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -202.299400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.299400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.299400 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.106
local terms energy: -73.902394
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -17.040
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: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -174.949292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.949292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.949292 (E_RNA)
where:
Base-Base interactions energy: -105.571
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.569
local terms energy: -68.809882
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -131.215652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.215652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.215652 (E_RNA)
where:
Base-Base interactions energy: -73.799
where: short stacking energy: -52.569
Base-Backbone interact. energy: -0.005
local terms energy: -57.411844
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -7.656
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: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -104.015293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.015293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.015293 (E_RNA)
where:
Base-Base interactions energy: -44.208
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.344
local terms energy: -59.462940
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -9.428
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: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -94.993222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.993222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.993222 (E_RNA)
where:
Base-Base interactions energy: -35.686
where: short stacking energy: -35.686
Base-Backbone interact. energy: -0.005
local terms energy: -59.301916
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.288
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -90.649142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.649142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.649142 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.100
local terms energy: -59.449409
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.966
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: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -83.588900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588900 (E_RNA)
where:
Base-Base interactions energy: -26.905
where: short stacking energy: -26.905
Base-Backbone interact. energy: -1.200
local terms energy: -55.484068
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -199.692896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.692896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.692896 (E_RNA)
where:
Base-Base interactions energy: -127.306
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.025
local terms energy: -72.361328
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -18.345
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: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -204.136023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.136023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.136023 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -70.723
Base-Backbone interact. energy: -0.098
local terms energy: -81.697411
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -205.884116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884116 (E_RNA)
where:
Base-Base interactions energy: -126.222
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.340
local terms energy: -79.322512
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -176.877021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.877021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.877021 (E_RNA)
where:
Base-Base interactions energy: -101.034
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.012
local terms energy: -75.830710
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -153.507364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.507364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.507364 (E_RNA)
where:
Base-Base interactions energy: -89.263
where: short stacking energy: -43.239
Base-Backbone interact. energy: 2.399
local terms energy: -66.642820
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -145.603417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.603417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.603417 (E_RNA)
where:
Base-Base interactions energy: -86.913
where: short stacking energy: -45.551
Base-Backbone interact. energy: -0.012
local terms energy: -58.678501
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -107.702659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.702659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.702659 (E_RNA)
where:
Base-Base interactions energy: -47.060
where: short stacking energy: -45.928
Base-Backbone interact. energy: -0.091
local terms energy: -60.551794
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -12.729
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: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -88.707778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.707778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.707778 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -31.734
Base-Backbone interact. energy: 0.157
local terms energy: -57.131116
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.551
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -92.666052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.666052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.666052 (E_RNA)
where:
Base-Base interactions energy: -28.493
where: short stacking energy: -28.493
Base-Backbone interact. energy: 0.246
local terms energy: -64.418792
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -91.332040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.332040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.332040 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -32.570
Base-Backbone interact. energy: 0.541
local terms energy: -59.303696
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -212.083460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.083460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.083460 (E_RNA)
where:
Base-Base interactions energy: -132.471
where: short stacking energy: -68.202
Base-Backbone interact. energy: -0.012
local terms energy: -79.600547
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -204.278659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.278659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.278659 (E_RNA)
where:
Base-Base interactions energy: -127.597
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.003
local terms energy: -76.678858
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -12.955
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: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -193.311449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.311449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.311449 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.105
local terms energy: -79.306227
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -20.354
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: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -183.568743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.568743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.568743 (E_RNA)
where:
Base-Base interactions energy: -109.645
where: short stacking energy: -61.376
Base-Backbone interact. energy: -0.019
local terms energy: -73.904411
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -160.610698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.610698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.610698 (E_RNA)
where:
Base-Base interactions energy: -93.754
where: short stacking energy: -50.252
Base-Backbone interact. energy: 1.208
local terms energy: -68.064081
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -8.488
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: 217
Temperature: 1.150000
Total energy: -102.352658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.352658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.352658 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -30.791
Base-Backbone interact. energy: -0.051
local terms energy: -59.471293
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -154.381314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.381314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.381314 (E_RNA)
where:
Base-Base interactions energy: -87.360
where: short stacking energy: -49.182
Base-Backbone interact. energy: -0.022
local terms energy: -66.999097
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -104.527067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.527067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.527067 (E_RNA)
where:
Base-Base interactions energy: -47.641
where: short stacking energy: -45.853
Base-Backbone interact. energy: -0.239
local terms energy: -56.647676
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -82.453255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.453255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.453255 (E_RNA)
where:
Base-Base interactions energy: -24.072
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.115
local terms energy: -58.266540
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -75.558029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.558029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.558029 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.036
local terms energy: -46.841505
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: 1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -203.442590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.442590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.442590 (E_RNA)
where:
Base-Base interactions energy: -124.932
where: short stacking energy: -72.494
Base-Backbone interact. energy: 0.181
local terms energy: -78.691386
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.571
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: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -210.009076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.009076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.009076 (E_RNA)
where:
Base-Base interactions energy: -129.042
where: short stacking energy: -81.107
Base-Backbone interact. energy: -0.010
local terms energy: -80.956856
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -22.495
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: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -187.427819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.427819 (E_RNA)
where:
Base-Base interactions energy: -109.800
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.118
local terms energy: -77.509531
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -176.678758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.678758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.678758 (E_RNA)
where:
Base-Base interactions energy: -103.618
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.005
local terms energy: -73.055900
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -163.281078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.281078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.281078 (E_RNA)
where:
Base-Base interactions energy: -91.845
where: short stacking energy: -52.861
Base-Backbone interact. energy: -0.144
local terms energy: -71.291738
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -123.826910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.826910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.826910 (E_RNA)
where:
Base-Base interactions energy: -62.493
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.465
local terms energy: -60.868324
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -148.295053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.295053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.295053 (E_RNA)
where:
Base-Base interactions energy: -92.973
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.017
local terms energy: -55.304863
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -95.472469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.472469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.472469 (E_RNA)
where:
Base-Base interactions energy: -36.508
where: short stacking energy: -36.508
Base-Backbone interact. energy: -0.016
local terms energy: -58.948469
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -87.022187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.022187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.022187 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.138
local terms energy: -52.873591
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -83.445500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445500 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.072
local terms energy: -54.631562
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -197.383227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.383227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.383227 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -68.996
Base-Backbone interact. energy: 0.025
local terms energy: -72.338946
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -214.758956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.758956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.758956 (E_RNA)
where:
Base-Base interactions energy: -125.920
where: short stacking energy: -71.940
Base-Backbone interact. energy: -0.007
local terms energy: -88.831718
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -189.783965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.783965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.783965 (E_RNA)
where:
Base-Base interactions energy: -118.589
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.068
local terms energy: -71.126616
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -9.297
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: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -162.493355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.493355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.493355 (E_RNA)
where:
Base-Base interactions energy: -93.828
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.202
local terms energy: -68.463609
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -12.420
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: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -161.063432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.063432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.063432 (E_RNA)
where:
Base-Base interactions energy: -95.962
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.111
local terms energy: -64.990059
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.794
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: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -138.622984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.622984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.622984 (E_RNA)
where:
Base-Base interactions energy: -70.457
where: short stacking energy: -36.167
Base-Backbone interact. energy: -0.170
local terms energy: -67.996347
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -124.156746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.156746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.156746 (E_RNA)
where:
Base-Base interactions energy: -65.153
where: short stacking energy: -36.212
Base-Backbone interact. energy: 0.183
local terms energy: -59.187092
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -4.844
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: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -94.307556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.307556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.307556 (E_RNA)
where:
Base-Base interactions energy: -37.294
where: short stacking energy: -37.294
Base-Backbone interact. energy: -0.095
local terms energy: -56.918662
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -5.869
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: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -87.548741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.548741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.548741 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.175
local terms energy: -51.286206
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -74.532332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.532332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.532332 (E_RNA)
where:
Base-Base interactions energy: -22.775
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.489
local terms energy: -51.268532
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -209.447791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.447791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.447791 (E_RNA)
where:
Base-Base interactions energy: -129.307
where: short stacking energy: -74.832
Base-Backbone interact. energy: 0.066
local terms energy: -80.207386
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -198.240462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.240462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.240462 (E_RNA)
where:
Base-Base interactions energy: -128.325
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.006
local terms energy: -69.909190
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -184.478823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.478823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478823 (E_RNA)
where:
Base-Base interactions energy: -107.402
where: short stacking energy: -64.570
Base-Backbone interact. energy: -0.005
local terms energy: -77.072044
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -19.634
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: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -184.265926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.265926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.265926 (E_RNA)
where:
Base-Base interactions energy: -117.112
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.013
local terms energy: -67.141225
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -156.121770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.121770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.121770 (E_RNA)
where:
Base-Base interactions energy: -92.820
where: short stacking energy: -46.965
Base-Backbone interact. energy: -0.050
local terms energy: -63.251620
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -9.167
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: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -162.971935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.971935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.971935 (E_RNA)
where:
Base-Base interactions energy: -100.516
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.035
local terms energy: -62.421296
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -160.106818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.106818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.106818 (E_RNA)
where:
Base-Base interactions energy: -97.461
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.074
local terms energy: -62.572206
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -89.189763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189763 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -27.224
Base-Backbone interact. energy: 1.453
local terms energy: -63.418132
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -80.288662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.288662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.288662 (E_RNA)
where:
Base-Base interactions energy: -33.025
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.203
local terms energy: -47.060355
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -80.460840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.460840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.460840 (E_RNA)
where:
Base-Base interactions energy: -31.706
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.208
local terms energy: -48.546888
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -226.395736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.395736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.395736 (E_RNA)
where:
Base-Base interactions energy: -147.304
where: short stacking energy: -86.787
Base-Backbone interact. energy: -0.061
local terms energy: -79.031151
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -20.572
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: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -208.761328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.761328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.761328 (E_RNA)
where:
Base-Base interactions energy: -129.175
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.011
local terms energy: -79.575195
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -9.232
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: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -180.089880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.089880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.089880 (E_RNA)
where:
Base-Base interactions energy: -105.937
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.009
local terms energy: -74.144313
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -15.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -190.691315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.691315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.691315 (E_RNA)
where:
Base-Base interactions energy: -119.444
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.006
local terms energy: -71.241418
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -171.707973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.707973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.707973 (E_RNA)
where:
Base-Base interactions energy: -98.739
where: short stacking energy: -56.074
Base-Backbone interact. energy: -1.156
local terms energy: -71.812620
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -157.237145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.237145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.237145 (E_RNA)
where:
Base-Base interactions energy: -98.250
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.130
local terms energy: -58.856992
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -9.235
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: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -151.106523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.106523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.106523 (E_RNA)
where:
Base-Base interactions energy: -83.814
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.072
local terms energy: -67.219904
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -85.273737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.273737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.273737 (E_RNA)
where:
Base-Base interactions energy: -33.821
where: short stacking energy: -33.821
Base-Backbone interact. energy: 1.855
local terms energy: -53.307492
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -7.740
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -79.418642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.418642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.418642 (E_RNA)
where:
Base-Base interactions energy: -26.178
where: short stacking energy: -26.178
Base-Backbone interact. energy: -0.027
local terms energy: -53.213834
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -75.204847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.204847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.204847 (E_RNA)
where:
Base-Base interactions energy: -28.171
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.163
local terms energy: -46.870633
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -5.701
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: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -209.620070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.620070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.620070 (E_RNA)
where:
Base-Base interactions energy: -133.588
where: short stacking energy: -70.984
Base-Backbone interact. energy: 0.551
local terms energy: -76.583119
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -199.963072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.963072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.963072 (E_RNA)
where:
Base-Base interactions energy: -118.702
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.001
local terms energy: -81.259688
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -181.959835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.959835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.959835 (E_RNA)
where:
Base-Base interactions energy: -116.000
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.104
local terms energy: -65.855691
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -170.686514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.686514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.686514 (E_RNA)
where:
Base-Base interactions energy: -106.405
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.043
local terms energy: -64.239144
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -11.044
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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -162.981084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.981084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.981084 (E_RNA)
where:
Base-Base interactions energy: -94.280
where: short stacking energy: -50.395
Base-Backbone interact. energy: -0.199
local terms energy: -68.501281
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -151.961012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.961012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.961012 (E_RNA)
where:
Base-Base interactions energy: -89.896
where: short stacking energy: -50.749
Base-Backbone interact. energy: -0.065
local terms energy: -62.000445
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -150.742810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.742810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.742810 (E_RNA)
where:
Base-Base interactions energy: -87.000
where: short stacking energy: -46.433
Base-Backbone interact. energy: -0.048
local terms energy: -63.694857
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -83.590418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.590418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.590418 (E_RNA)
where:
Base-Base interactions energy: -30.325
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.408
local terms energy: -52.857499
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -93.720503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.720503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.720503 (E_RNA)
where:
Base-Base interactions energy: -33.735
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.137
local terms energy: -59.848428
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -86.008753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.008753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.008753 (E_RNA)
where:
Base-Base interactions energy: -44.395
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.205
local terms energy: -41.408695
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -212.656691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.656691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.656691 (E_RNA)
where:
Base-Base interactions energy: -130.779
where: short stacking energy: -75.083
Base-Backbone interact. energy: -0.001
local terms energy: -81.876974
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -23.867
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: 223
Temperature: 0.950000
Total energy: -200.372823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.372823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.372823 (E_RNA)
where:
Base-Base interactions energy: -124.675
where: short stacking energy: -73.129
Base-Backbone interact. energy: -0.004
local terms energy: -75.694663
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -21.009
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -204.990419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.990419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.990419 (E_RNA)
where:
Base-Base interactions energy: -132.590
where: short stacking energy: -82.369
Base-Backbone interact. energy: 1.938
local terms energy: -74.338360
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -178.366309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.366309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.366309 (E_RNA)
where:
Base-Base interactions energy: -104.862
where: short stacking energy: -58.566
Base-Backbone interact. energy: -0.007
local terms energy: -73.498088
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -18.461
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: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -156.481701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.481701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.481701 (E_RNA)
where:
Base-Base interactions energy: -84.898
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.112
local terms energy: -71.471271
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.773
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: 223
Temperature: 1.150000
Total energy: -153.664698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.664698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.664698 (E_RNA)
where:
Base-Base interactions energy: -88.724
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.148
local terms energy: -64.792141
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.832
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: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -160.544461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.544461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.544461 (E_RNA)
where:
Base-Base interactions energy: -98.409
where: short stacking energy: -51.953
Base-Backbone interact. energy: 0.946
local terms energy: -63.081234
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -10.727
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: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -91.385115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.385115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.385115 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -26.946
Base-Backbone interact. energy: -0.190
local terms energy: -62.404860
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -84.068384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.068384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.068384 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.107
local terms energy: -49.643015
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -79.123227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.123227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.123227 (E_RNA)
where:
Base-Base interactions energy: -30.988
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.097
local terms energy: -48.038549
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -206.244910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.244910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.244910 (E_RNA)
where:
Base-Base interactions energy: -134.129
where: short stacking energy: -73.713
Base-Backbone interact. energy: -0.100
local terms energy: -72.015175
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -206.100346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.100346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.100346 (E_RNA)
where:
Base-Base interactions energy: -121.882
where: short stacking energy: -73.633
Base-Backbone interact. energy: 0.501
local terms energy: -84.719510
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -190.525267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.525267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.525267 (E_RNA)
where:
Base-Base interactions energy: -112.979
where: short stacking energy: -69.347
Base-Backbone interact. energy: -0.030
local terms energy: -77.516131
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -197.189207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.189207 (E_RNA)
where:
Base-Base interactions energy: -118.379
where: short stacking energy: -65.348
Base-Backbone interact. energy: -0.170
local terms energy: -78.639711
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -165.867069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.867069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.867069 (E_RNA)
where:
Base-Base interactions energy: -94.912
where: short stacking energy: -55.378
Base-Backbone interact. energy: 0.590
local terms energy: -71.545039
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -141.340071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.340071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.340071 (E_RNA)
where:
Base-Base interactions energy: -80.943
where: short stacking energy: -50.442
Base-Backbone interact. energy: 1.229
local terms energy: -61.625684
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -11.913
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: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -151.212362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.212362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.212362 (E_RNA)
where:
Base-Base interactions energy: -90.168
where: short stacking energy: -55.159
Base-Backbone interact. energy: 0.012
local terms energy: -61.056813
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -89.695852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.695852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.695852 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.066
local terms energy: -49.733695
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -10.116
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: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -86.935724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.935724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.935724 (E_RNA)
where:
Base-Base interactions energy: -39.376
where: short stacking energy: -27.771
Base-Backbone interact. energy: -2.236
local terms energy: -45.323413
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -75.372919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.372919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.372919 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.079
local terms energy: -47.911537
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -199.551970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.551970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.551970 (E_RNA)
where:
Base-Base interactions energy: -124.080
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.136
local terms energy: -75.336532
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -210.325513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.325513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.325513 (E_RNA)
where:
Base-Base interactions energy: -125.558
where: short stacking energy: -68.775
Base-Backbone interact. energy: -1.890
local terms energy: -82.877324
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -181.659639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.659639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.659639 (E_RNA)
where:
Base-Base interactions energy: -103.841
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.010
local terms energy: -77.808499
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -11.924
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: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -179.669554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669554 (E_RNA)
where:
Base-Base interactions energy: -109.483
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.071
local terms energy: -70.115113
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.933
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: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -167.416841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.416841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.416841 (E_RNA)
where:
Base-Base interactions energy: -93.768
where: short stacking energy: -45.980
Base-Backbone interact. energy: -0.163
local terms energy: -73.484992
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -159.430597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.430597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.430597 (E_RNA)
where:
Base-Base interactions energy: -93.144
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.012
local terms energy: -66.275270
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -10.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -147.623877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.623877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.623877 (E_RNA)
where:
Base-Base interactions energy: -85.978
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.006
local terms energy: -61.640388
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -99.256394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.256394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.256394 (E_RNA)
where:
Base-Base interactions energy: -43.366
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.058
local terms energy: -55.832540
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -8.836
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: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -99.134914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.134914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.134914 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -36.544
Base-Backbone interact. energy: 0.497
local terms energy: -63.188192
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -85.765948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765948 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -30.747
Base-Backbone interact. energy: 1.345
local terms energy: -56.363748
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -214.173811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173811 (E_RNA)
where:
Base-Base interactions energy: -130.600
where: short stacking energy: -78.923
Base-Backbone interact. energy: -0.001
local terms energy: -83.572422
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -190.936758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.936758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.936758 (E_RNA)
where:
Base-Base interactions energy: -115.225
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.014
local terms energy: -75.697896
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.003
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: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -191.110329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.110329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.110329 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.057
local terms energy: -78.183367
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -179.943671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.943671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.943671 (E_RNA)
where:
Base-Base interactions energy: -101.839
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.046
local terms energy: -78.058643
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -168.860910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.860910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.860910 (E_RNA)
where:
Base-Base interactions energy: -93.366
where: short stacking energy: -52.012
Base-Backbone interact. energy: -0.135
local terms energy: -75.359758
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -156.706869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.706869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.706869 (E_RNA)
where:
Base-Base interactions energy: -96.748
where: short stacking energy: -50.452
Base-Backbone interact. energy: 2.234
local terms energy: -62.192775
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -6.751
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: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -162.601544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.601544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.601544 (E_RNA)
where:
Base-Base interactions energy: -90.482
where: short stacking energy: -52.369
Base-Backbone interact. energy: -0.730
local terms energy: -71.389457
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -94.949266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.949266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.949266 (E_RNA)
where:
Base-Base interactions energy: -39.200
where: short stacking energy: -39.200
Base-Backbone interact. energy: -1.078
local terms energy: -54.671199
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -96.796288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.796288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.796288 (E_RNA)
where:
Base-Base interactions energy: -39.154
where: short stacking energy: -31.094
Base-Backbone interact. energy: -0.138
local terms energy: -57.504320
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -109.238634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.238634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.238634 (E_RNA)
where:
Base-Base interactions energy: -57.174
where: short stacking energy: -29.797
Base-Backbone interact. energy: -0.206
local terms energy: -51.859270
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -7.094
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: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -223.764491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.764491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.764491 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -86.672
Base-Backbone interact. energy: -0.008
local terms energy: -86.401634
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -197.384117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.384117 (E_RNA)
where:
Base-Base interactions energy: -120.975
where: short stacking energy: -63.164
Base-Backbone interact. energy: -0.180
local terms energy: -76.228452
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -19.820
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: 227
Temperature: 1.000000
Total energy: -193.199034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.199034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.199034 (E_RNA)
where:
Base-Base interactions energy: -118.713
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.095
local terms energy: -74.391554
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -3.029
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -175.127738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.127738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.127738 (E_RNA)
where:
Base-Base interactions energy: -106.289
where: short stacking energy: -52.751
Base-Backbone interact. energy: -0.063
local terms energy: -68.776470
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -165.973331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.973331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.973331 (E_RNA)
where:
Base-Base interactions energy: -102.623
where: short stacking energy: -58.347
Base-Backbone interact. energy: 1.688
local terms energy: -65.038311
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -6.683
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -162.008258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.008258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.008258 (E_RNA)
where:
Base-Base interactions energy: -97.846
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.098
local terms energy: -64.064231
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -176.731127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.731127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.731127 (E_RNA)
where:
Base-Base interactions energy: -97.090
where: short stacking energy: -49.738
Base-Backbone interact. energy: -0.160
local terms energy: -79.480459
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -90.258308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.258308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.258308 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.036
local terms energy: -44.247913
where:
bonds (distance) C4'-P energy: -5.980
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -2.381
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -85.336295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.336295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.336295 (E_RNA)
where:
Base-Base interactions energy: -27.450
where: short stacking energy: -27.450
Base-Backbone interact. energy: -1.409
local terms energy: -56.476635
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -130.208280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.208280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.208280 (E_RNA)
where:
Base-Base interactions energy: -64.344
where: short stacking energy: -36.218
Base-Backbone interact. energy: -0.534
local terms energy: -65.330017
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -217.767225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.767225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.767225 (E_RNA)
where:
Base-Base interactions energy: -134.253
where: short stacking energy: -78.965
Base-Backbone interact. energy: -1.873
local terms energy: -81.641760
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -198.726812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.726812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.726812 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -67.679
Base-Backbone interact. energy: 0.053
local terms energy: -75.645715
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -192.678190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.678190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.678190 (E_RNA)
where:
Base-Base interactions energy: -118.102
where: short stacking energy: -72.115
Base-Backbone interact. energy: -0.064
local terms energy: -74.512114
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -169.882353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.882353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.882353 (E_RNA)
where:
Base-Base interactions energy: -98.664
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.158
local terms energy: -71.059686
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.957
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: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -164.613662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.613662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.613662 (E_RNA)
where:
Base-Base interactions energy: -96.258
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.092
local terms energy: -68.263261
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -147.514775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.514775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.514775 (E_RNA)
where:
Base-Base interactions energy: -86.466
where: short stacking energy: -40.974
Base-Backbone interact. energy: -0.209
local terms energy: -60.840403
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -5.845
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: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -155.641554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.641554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.641554 (E_RNA)
where:
Base-Base interactions energy: -90.251
where: short stacking energy: -52.252
Base-Backbone interact. energy: -0.161
local terms energy: -65.230457
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -130.553462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.553462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.553462 (E_RNA)
where:
Base-Base interactions energy: -69.394
where: short stacking energy: -36.382
Base-Backbone interact. energy: -0.070
local terms energy: -61.089557
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -101.026669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.026669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.026669 (E_RNA)
where:
Base-Base interactions energy: -62.769
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.045
local terms energy: -38.212107
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: 0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -105.874196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.874196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.874196 (E_RNA)
where:
Base-Base interactions energy: -56.482
where: short stacking energy: -41.445
Base-Backbone interact. energy: -0.135
local terms energy: -49.257927
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -8.984
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: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -218.690799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.690799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.690799 (E_RNA)
where:
Base-Base interactions energy: -137.976
where: short stacking energy: -78.505
Base-Backbone interact. energy: -0.008
local terms energy: -80.706964
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -187.180978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.180978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.180978 (E_RNA)
where:
Base-Base interactions energy: -116.783
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.106
local terms energy: -70.292273
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -191.377119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.377119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377119 (E_RNA)
where:
Base-Base interactions energy: -120.298
where: short stacking energy: -66.193
Base-Backbone interact. energy: -0.003
local terms energy: -71.076199
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -17.539
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: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -175.940168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.940168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.940168 (E_RNA)
where:
Base-Base interactions energy: -109.926
where: short stacking energy: -55.547
Base-Backbone interact. energy: -0.119
local terms energy: -65.894684
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -18.193
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: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -173.033443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.033443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.033443 (E_RNA)
where:
Base-Base interactions energy: -99.922
where: short stacking energy: -59.936
Base-Backbone interact. energy: -0.240
local terms energy: -72.870760
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -143.543403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.543403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.543403 (E_RNA)
where:
Base-Base interactions energy: -81.809
where: short stacking energy: -44.129
Base-Backbone interact. energy: -0.185
local terms energy: -61.549566
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -8.358
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: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -152.231119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.231119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.231119 (E_RNA)
where:
Base-Base interactions energy: -85.516
where: short stacking energy: -49.792
Base-Backbone interact. energy: -1.230
local terms energy: -65.485261
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -14.468
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: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -79.033597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.033597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.033597 (E_RNA)
where:
Base-Base interactions energy: -27.704
where: short stacking energy: -27.704
Base-Backbone interact. energy: 1.477
local terms energy: -52.806501
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -130.355428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.355428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.355428 (E_RNA)
where:
Base-Base interactions energy: -68.875
where: short stacking energy: -37.139
Base-Backbone interact. energy: -0.208
local terms energy: -61.272687
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -10.655
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: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -89.164255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.164255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.164255 (E_RNA)
where:
Base-Base interactions energy: -43.344
where: short stacking energy: -24.587
Base-Backbone interact. energy: -0.137
local terms energy: -45.682596
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -7.388
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: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -224.902494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.902494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.902494 (E_RNA)
where:
Base-Base interactions energy: -141.445
where: short stacking energy: -79.445
Base-Backbone interact. energy: -0.009
local terms energy: -83.449333
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.756
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: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -193.563855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.563855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.563855 (E_RNA)
where:
Base-Base interactions energy: -118.369
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.005
local terms energy: -75.189797
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -186.574234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574234 (E_RNA)
where:
Base-Base interactions energy: -109.438
where: short stacking energy: -61.355
Base-Backbone interact. energy: -0.002
local terms energy: -77.134024
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -198.147651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.147651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.147651 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.042
local terms energy: -71.946745
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -18.296
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -167.659662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.659662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.659662 (E_RNA)
where:
Base-Base interactions energy: -95.409
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.011
local terms energy: -72.239074
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -5.568
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: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -146.713641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.713641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.713641 (E_RNA)
where:
Base-Base interactions energy: -78.559
where: short stacking energy: -43.550
Base-Backbone interact. energy: -0.199
local terms energy: -67.956017
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -155.205199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.205199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.205199 (E_RNA)
where:
Base-Base interactions energy: -90.796
where: short stacking energy: -50.589
Base-Backbone interact. energy: -0.174
local terms energy: -64.234578
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -88.408948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.408948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.408948 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -33.169
Base-Backbone interact. energy: 0.427
local terms energy: -55.667640
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -7.679
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -87.947051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.947051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.947051 (E_RNA)
where:
Base-Base interactions energy: -43.583
where: short stacking energy: -29.753
Base-Backbone interact. energy: -0.425
local terms energy: -43.939969
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -9.403
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: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -88.370293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.370293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.370293 (E_RNA)
where:
Base-Base interactions energy: -28.367
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.011
local terms energy: -59.992146
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -224.253736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.253736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.253736 (E_RNA)
where:
Base-Base interactions energy: -134.313
where: short stacking energy: -81.187
Base-Backbone interact. energy: -0.004
local terms energy: -89.937054
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -201.036630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036630 (E_RNA)
where:
Base-Base interactions energy: -123.746
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.013
local terms energy: -77.277492
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -196.337698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.337698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.337698 (E_RNA)
where:
Base-Base interactions energy: -122.597
where: short stacking energy: -67.296
Base-Backbone interact. energy: 0.980
local terms energy: -74.721028
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -173.642405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.642405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.642405 (E_RNA)
where:
Base-Base interactions energy: -101.295
where: short stacking energy: -57.215
Base-Backbone interact. energy: 2.290
local terms energy: -74.636775
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -12.232
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: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -182.898294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.898294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.898294 (E_RNA)
where:
Base-Base interactions energy: -114.785
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.085
local terms energy: -68.028424
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -11.598
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: 231
Temperature: 1.150000
Total energy: -163.938045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.938045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.938045 (E_RNA)
where:
Base-Base interactions energy: -89.655
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.275
local terms energy: -74.007707
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -13.825
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: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -140.415837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.415837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.415837 (E_RNA)
where:
Base-Base interactions energy: -72.743
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.180
local terms energy: -67.492935
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -10.582
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: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -109.551315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.551315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.551315 (E_RNA)
where:
Base-Base interactions energy: -49.175
where: short stacking energy: -49.175
Base-Backbone interact. energy: -0.044
local terms energy: -60.332829
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -87.023170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.023170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.023170 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -29.998
Base-Backbone interact. energy: 0.626
local terms energy: -57.651240
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -91.325272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.325272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.325272 (E_RNA)
where:
Base-Base interactions energy: -40.071
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.399
local terms energy: -50.854893
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -5.723
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: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -216.677717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.677717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.677717 (E_RNA)
where:
Base-Base interactions energy: -130.087
where: short stacking energy: -77.875
Base-Backbone interact. energy: -1.904
local terms energy: -84.686972
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -196.050358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.050358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.050358 (E_RNA)
where:
Base-Base interactions energy: -114.693
where: short stacking energy: -71.579
Base-Backbone interact. energy: -0.625
local terms energy: -80.732469
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -190.051279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.051279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.051279 (E_RNA)
where:
Base-Base interactions energy: -117.491
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.104
local terms energy: -72.455912
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -175.362141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.362141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.362141 (E_RNA)
where:
Base-Base interactions energy: -104.430
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.078
local terms energy: -70.854319
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -182.235429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.235429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.235429 (E_RNA)
where:
Base-Base interactions energy: -112.480
where: short stacking energy: -56.155
Base-Backbone interact. energy: -1.110
local terms energy: -68.645084
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -148.164588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.164588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.164588 (E_RNA)
where:
Base-Base interactions energy: -88.749
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.560
local terms energy: -58.855360
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -91.651486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.651486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.651486 (E_RNA)
where:
Base-Base interactions energy: -34.929
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.544
local terms energy: -56.178195
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -9.429
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: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -99.294743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294743 (E_RNA)
where:
Base-Base interactions energy: -45.335
where: short stacking energy: -28.265
Base-Backbone interact. energy: 0.328
local terms energy: -54.286873
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -107.304891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.304891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.304891 (E_RNA)
where:
Base-Base interactions energy: -58.685
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.354
local terms energy: -48.265473
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.370
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: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -87.202831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202831 (E_RNA)
where:
Base-Base interactions energy: -39.824
where: short stacking energy: -39.824
Base-Backbone interact. energy: -0.268
local terms energy: -47.110827
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -219.052781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.052781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.052781 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -80.329
Base-Backbone interact. energy: -0.733
local terms energy: -84.523044
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -10.292
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: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -200.413984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.413984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.413984 (E_RNA)
where:
Base-Base interactions energy: -121.566
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.001
local terms energy: -78.846798
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -186.005411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.005411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.005411 (E_RNA)
where:
Base-Base interactions energy: -109.151
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.022
local terms energy: -76.832374
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -6.858
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: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -191.239446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.239446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.239446 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -54.903
Base-Backbone interact. energy: -0.400
local terms energy: -68.391139
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.840
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: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -179.926781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926781 (E_RNA)
where:
Base-Base interactions energy: -106.472
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.010
local terms energy: -73.445338
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -18.604
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: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -144.406240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.406240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.406240 (E_RNA)
where:
Base-Base interactions energy: -80.727
where: short stacking energy: -44.170
Base-Backbone interact. energy: 1.241
local terms energy: -64.919725
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -106.847478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.847478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.847478 (E_RNA)
where:
Base-Base interactions energy: -61.838
where: short stacking energy: -43.107
Base-Backbone interact. energy: 0.908
local terms energy: -45.917186
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -93.181643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.181643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.181643 (E_RNA)
where:
Base-Base interactions energy: -37.430
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.298
local terms energy: -55.452844
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -93.726757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.726757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.726757 (E_RNA)
where:
Base-Base interactions energy: -31.397
where: short stacking energy: -28.823
Base-Backbone interact. energy: -0.087
local terms energy: -62.242122
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -84.206415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.206415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.206415 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -32.624
Base-Backbone interact. energy: -0.057
local terms energy: -51.525146
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -215.745988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.745988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.745988 (E_RNA)
where:
Base-Base interactions energy: -139.099
where: short stacking energy: -76.887
Base-Backbone interact. energy: -1.399
local terms energy: -75.247367
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -191.953279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.953279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.953279 (E_RNA)
where:
Base-Base interactions energy: -113.217
where: short stacking energy: -63.638
Base-Backbone interact. energy: -0.766
local terms energy: -77.970300
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -195.319151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.319151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.319151 (E_RNA)
where:
Base-Base interactions energy: -126.122
where: short stacking energy: -69.355
Base-Backbone interact. energy: -0.493
local terms energy: -68.704289
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -187.305473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.305473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.305473 (E_RNA)
where:
Base-Base interactions energy: -113.095
where: short stacking energy: -65.545
Base-Backbone interact. energy: -0.681
local terms energy: -73.529280
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -172.400388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.400388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.400388 (E_RNA)
where:
Base-Base interactions energy: -100.722
where: short stacking energy: -63.183
Base-Backbone interact. energy: -0.033
local terms energy: -71.645372
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -19.031
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: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -165.466906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.466906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.466906 (E_RNA)
where:
Base-Base interactions energy: -97.904
where: short stacking energy: -55.502
Base-Backbone interact. energy: 0.273
local terms energy: -67.836243
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -12.178
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: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -106.220816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.220816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.220816 (E_RNA)
where:
Base-Base interactions energy: -47.186
where: short stacking energy: -36.561
Base-Backbone interact. energy: 0.287
local terms energy: -59.322477
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -106.045041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.045041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.045041 (E_RNA)
where:
Base-Base interactions energy: -53.028
where: short stacking energy: -26.208
Base-Backbone interact. energy: -0.293
local terms energy: -52.723413
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -84.081570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.081570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.081570 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -15.666
Base-Backbone interact. energy: 1.926
local terms energy: -47.389390
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -77.392352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.392352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.392352 (E_RNA)
where:
Base-Base interactions energy: -29.136
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.076
local terms energy: -48.180205
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -213.596664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.596664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.596664 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -76.417
Base-Backbone interact. energy: -0.241
local terms energy: -81.871155
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -211.819350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.819350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.819350 (E_RNA)
where:
Base-Base interactions energy: -136.616
where: short stacking energy: -72.766
Base-Backbone interact. energy: -0.035
local terms energy: -75.168914
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -8.046
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -204.326940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326940 (E_RNA)
where:
Base-Base interactions energy: -127.309
where: short stacking energy: -75.290
Base-Backbone interact. energy: -0.312
local terms energy: -76.705590
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -160.182246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.182246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.182246 (E_RNA)
where:
Base-Base interactions energy: -90.035
where: short stacking energy: -49.898
Base-Backbone interact. energy: -0.151
local terms energy: -69.996234
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.689
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: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -188.930756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.930756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.930756 (E_RNA)
where:
Base-Base interactions energy: -113.491
where: short stacking energy: -72.347
Base-Backbone interact. energy: -0.001
local terms energy: -75.438031
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -163.123643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.123643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.123643 (E_RNA)
where:
Base-Base interactions energy: -90.724
where: short stacking energy: -53.131
Base-Backbone interact. energy: -0.005
local terms energy: -72.394275
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -94.525978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.525978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.525978 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -31.937
Base-Backbone interact. energy: -0.461
local terms energy: -60.915090
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -5.772
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: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -89.417360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.417360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.417360 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.144
local terms energy: -50.681788
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -76.382948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.382948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.382948 (E_RNA)
where:
Base-Base interactions energy: -26.101
where: short stacking energy: -21.786
Base-Backbone interact. energy: -0.303
local terms energy: -49.979148
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: 1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -86.257455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.257455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.257455 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.179
local terms energy: -49.467756
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: 0.312
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: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -209.153571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.153571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.153571 (E_RNA)
where:
Base-Base interactions energy: -135.191
where: short stacking energy: -75.863
Base-Backbone interact. energy: -0.006
local terms energy: -73.956432
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -210.387055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.387055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.387055 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -69.835
Base-Backbone interact. energy: 0.262
local terms energy: -78.947629
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -199.154360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.154360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.154360 (E_RNA)
where:
Base-Base interactions energy: -125.120
where: short stacking energy: -72.160
Base-Backbone interact. energy: -0.252
local terms energy: -73.782559
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -20.267
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: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -145.847036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.847036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.847036 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -51.210
Base-Backbone interact. energy: -0.208
local terms energy: -63.571156
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -167.084016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.084016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.084016 (E_RNA)
where:
Base-Base interactions energy: -98.308
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.012
local terms energy: -68.764188
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -173.198706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.198706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.198706 (E_RNA)
where:
Base-Base interactions energy: -109.423
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.310
local terms energy: -63.465482
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -1.959
tors. eta vs tors. theta energy: -15.561
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: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -95.007509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.007509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.007509 (E_RNA)
where:
Base-Base interactions energy: -46.130
where: short stacking energy: -38.259
Base-Backbone interact. energy: -0.368
local terms energy: -48.509344
where:
bonds (distance) C4'-P energy: -7.572
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -95.462333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.462333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.462333 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.002
local terms energy: -57.181225
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -87.698426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.698426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.698426 (E_RNA)
where:
Base-Base interactions energy: -27.880
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.171
local terms energy: -59.647660
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -84.088999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.088999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.088999 (E_RNA)
where:
Base-Base interactions energy: -29.464
where: short stacking energy: -29.464
Base-Backbone interact. energy: 0.176
local terms energy: -54.800667
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -201.004027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.004027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.004027 (E_RNA)
where:
Base-Base interactions energy: -128.165
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.461
local terms energy: -72.377837
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -208.203717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.203717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.203717 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -70.517
Base-Backbone interact. energy: 0.223
local terms energy: -77.732749
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -19.916
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: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -202.836484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.836484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.836484 (E_RNA)
where:
Base-Base interactions energy: -131.838
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.031
local terms energy: -70.966904
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -173.763050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.763050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.763050 (E_RNA)
where:
Base-Base interactions energy: -100.833
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.212
local terms energy: -72.717719
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -165.050526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.050526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.050526 (E_RNA)
where:
Base-Base interactions energy: -97.071
where: short stacking energy: -51.459
Base-Backbone interact. energy: -0.000
local terms energy: -67.979049
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -12.861
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: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -165.745738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.745738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.745738 (E_RNA)
where:
Base-Base interactions energy: -102.421
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.670
local terms energy: -62.654149
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -98.879745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.879745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.879745 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -35.499
Base-Backbone interact. energy: -0.561
local terms energy: -62.819741
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -9.811
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: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -86.781091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781091 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -36.513
Base-Backbone interact. energy: -0.127
local terms energy: -50.053995
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -3.517
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: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -86.680751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.680751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.680751 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.106
local terms energy: -47.265857
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -72.505040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.505040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.505040 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -22.223
Base-Backbone interact. energy: 0.042
local terms energy: -44.908631
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: 1.458
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: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -212.109804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.109804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.109804 (E_RNA)
where:
Base-Base interactions energy: -137.714
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.003
local terms energy: -74.393288
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -183.094900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.094900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.094900 (E_RNA)
where:
Base-Base interactions energy: -108.218
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.018
local terms energy: -74.859113
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -193.010199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.010199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.010199 (E_RNA)
where:
Base-Base interactions energy: -122.508
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.010
local terms energy: -70.492199
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.113
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: 238
Temperature: 1.050000
Total energy: -176.550066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.550066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.550066 (E_RNA)
where:
Base-Base interactions energy: -111.228
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.095
local terms energy: -65.227278
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -157.576470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.576470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.576470 (E_RNA)
where:
Base-Base interactions energy: -100.049
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.340
local terms energy: -57.187118
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -154.982854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.982854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.982854 (E_RNA)
where:
Base-Base interactions energy: -90.058
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.036
local terms energy: -64.888365
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -95.727640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.727640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.727640 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.192
local terms energy: -58.758080
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -5.376
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: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -106.317260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.317260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.317260 (E_RNA)
where:
Base-Base interactions energy: -44.512
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.319
local terms energy: -61.486277
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -5.416
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: 238
Temperature: 1.300000
Total energy: -92.004822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004822 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -35.425
Base-Backbone interact. energy: -0.100
local terms energy: -54.294316
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -6.278
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -80.676846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.676846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.676846 (E_RNA)
where:
Base-Base interactions energy: -32.480
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.102
local terms energy: -48.094322
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -3.952
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -213.852645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852645 (E_RNA)
where:
Base-Base interactions energy: -135.683
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.157
local terms energy: -78.012827
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -21.009
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -199.979146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.979146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.979146 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.501
local terms energy: -76.910862
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -185.707641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.707641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.707641 (E_RNA)
where:
Base-Base interactions energy: -113.993
where: short stacking energy: -64.898
Base-Backbone interact. energy: 0.225
local terms energy: -71.940242
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -17.488
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: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -164.012256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.012256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.012256 (E_RNA)
where:
Base-Base interactions energy: -91.846
where: short stacking energy: -56.915
Base-Backbone interact. energy: 0.450
local terms energy: -72.616013
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.087
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: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -141.722303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.722303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.722303 (E_RNA)
where:
Base-Base interactions energy: -81.257
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.309
local terms energy: -60.156886
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -156.871302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.871302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.871302 (E_RNA)
where:
Base-Base interactions energy: -89.194
where: short stacking energy: -47.272
Base-Backbone interact. energy: -0.015
local terms energy: -67.662321
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -92.638947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.638947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.638947 (E_RNA)
where:
Base-Base interactions energy: -37.382
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.194
local terms energy: -55.062621
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -8.332
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: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -86.048573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048573 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.546
local terms energy: -54.753112
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -85.821874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821874 (E_RNA)
where:
Base-Base interactions energy: -31.473
where: short stacking energy: -25.359
Base-Backbone interact. energy: -0.244
local terms energy: -54.105444
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -74.967602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.967602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.967602 (E_RNA)
where:
Base-Base interactions energy: -32.626
where: short stacking energy: -32.626
Base-Backbone interact. energy: -0.282
local terms energy: -42.059786
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: 1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -221.221847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.221847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.221847 (E_RNA)
where:
Base-Base interactions energy: -137.597
where: short stacking energy: -74.752
Base-Backbone interact. energy: -0.048
local terms energy: -83.576311
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -17.873
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.659
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: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -201.465379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.465379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.465379 (E_RNA)
where:
Base-Base interactions energy: -130.165
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.048
local terms energy: -71.252702
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -195.047054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.047054 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.008
local terms energy: -77.855210
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -156.733234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.733234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.733234 (E_RNA)
where:
Base-Base interactions energy: -99.940
where: short stacking energy: -48.415
Base-Backbone interact. energy: -0.518
local terms energy: -56.274587
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -10.312
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: 240
Temperature: 1.100000
Total energy: -166.293032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293032 (E_RNA)
where:
Base-Base interactions energy: -99.926
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.166
local terms energy: -66.201452
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -141.978555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.978555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.978555 (E_RNA)
where:
Base-Base interactions energy: -82.584
where: short stacking energy: -38.198
Base-Backbone interact. energy: 3.349
local terms energy: -62.743255
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -117.913705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.913705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.913705 (E_RNA)
where:
Base-Base interactions energy: -59.113
where: short stacking energy: -41.337
Base-Backbone interact. energy: -0.037
local terms energy: -58.763267
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -82.768982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.768982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.768982 (E_RNA)
where:
Base-Base interactions energy: -37.251
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.024
local terms energy: -45.493923
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -6.747
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -98.946621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.946621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.946621 (E_RNA)
where:
Base-Base interactions energy: -33.192
where: short stacking energy: -32.711
Base-Backbone interact. energy: -0.127
local terms energy: -65.627812
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.565
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: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -75.212066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.212066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.212066 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -19.465
Base-Backbone interact. energy: -1.017
local terms energy: -48.775027
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: 5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -224.949687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.949687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.949687 (E_RNA)
where:
Base-Base interactions energy: -141.310
where: short stacking energy: -77.782
Base-Backbone interact. energy: -0.001
local terms energy: -83.638771
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -191.321450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.321450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.321450 (E_RNA)
where:
Base-Base interactions energy: -115.163
where: short stacking energy: -59.543
Base-Backbone interact. energy: -0.008
local terms energy: -76.150612
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -192.868730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.868730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.868730 (E_RNA)
where:
Base-Base interactions energy: -117.267
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.027
local terms energy: -75.575080
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.916
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: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -160.921998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.921998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.921998 (E_RNA)
where:
Base-Base interactions energy: -90.148
where: short stacking energy: -46.029
Base-Backbone interact. energy: 0.514
local terms energy: -71.287419
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -160.900529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.900529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.900529 (E_RNA)
where:
Base-Base interactions energy: -97.318
where: short stacking energy: -50.058
Base-Backbone interact. energy: -0.064
local terms energy: -63.518089
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -112.146051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.146051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.146051 (E_RNA)
where:
Base-Base interactions energy: -42.845
where: short stacking energy: -42.845
Base-Backbone interact. energy: -0.093
local terms energy: -69.207936
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -12.863
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: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -144.516266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.516266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.516266 (E_RNA)
where:
Base-Base interactions energy: -82.073
where: short stacking energy: -43.340
Base-Backbone interact. energy: -0.171
local terms energy: -62.272808
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -124.176791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.176791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.176791 (E_RNA)
where:
Base-Base interactions energy: -60.423
where: short stacking energy: -38.550
Base-Backbone interact. energy: -0.153
local terms energy: -63.601030
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -103.069495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.069495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.069495 (E_RNA)
where:
Base-Base interactions energy: -39.540
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.097
local terms energy: -63.432610
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -81.127660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.127660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.127660 (E_RNA)
where:
Base-Base interactions energy: -31.643
where: short stacking energy: -30.618
Base-Backbone interact. energy: -0.039
local terms energy: -49.445952
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -212.009147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.009147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.009147 (E_RNA)
where:
Base-Base interactions energy: -131.838
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.281
local terms energy: -79.889903
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -12.976
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: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -197.555212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555212 (E_RNA)
where:
Base-Base interactions energy: -123.854
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.004
local terms energy: -73.697520
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -192.101279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.101279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.101279 (E_RNA)
where:
Base-Base interactions energy: -120.800
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.181
local terms energy: -71.120649
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -7.589
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: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -166.020479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.020479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.020479 (E_RNA)
where:
Base-Base interactions energy: -97.239
where: short stacking energy: -58.221
Base-Backbone interact. energy: -0.117
local terms energy: -68.664992
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -173.096295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.096295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.096295 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -55.898
Base-Backbone interact. energy: -0.022
local terms energy: -66.427422
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -113.428155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.428155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.428155 (E_RNA)
where:
Base-Base interactions energy: -50.230
where: short stacking energy: -48.523
Base-Backbone interact. energy: -0.164
local terms energy: -63.034907
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -154.783583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.783583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.783583 (E_RNA)
where:
Base-Base interactions energy: -104.105
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.300
local terms energy: -50.379091
where:
bonds (distance) C4'-P energy: -4.932
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -89.325653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.325653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.325653 (E_RNA)
where:
Base-Base interactions energy: -31.662
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.201
local terms energy: -57.463120
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -87.867462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867462 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.154
local terms energy: -54.174914
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -85.439222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439222 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.195
local terms energy: -47.983944
where:
bonds (distance) C4'-P energy: -4.360
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -216.012054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.012054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.012054 (E_RNA)
where:
Base-Base interactions energy: -140.861
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.222
local terms energy: -74.929201
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -207.337407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.337407 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.039
local terms energy: -66.276542
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -17.011
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: 243
Temperature: 1.000000
Total energy: -190.700682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.700682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.700682 (E_RNA)
where:
Base-Base interactions energy: -120.937
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.035
local terms energy: -69.728650
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -181.216833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.216833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.216833 (E_RNA)
where:
Base-Base interactions energy: -110.110
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.086
local terms energy: -71.020342
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.882
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: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -167.734287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.734287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.734287 (E_RNA)
where:
Base-Base interactions energy: -94.749
where: short stacking energy: -49.060
Base-Backbone interact. energy: -0.016
local terms energy: -72.969305
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -140.816557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.816557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.816557 (E_RNA)
where:
Base-Base interactions energy: -89.543
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.209
local terms energy: -51.065343
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -93.355015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.355015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.355015 (E_RNA)
where:
Base-Base interactions energy: -40.324
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.001
local terms energy: -53.030124
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -5.215
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: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -90.213609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.213609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.213609 (E_RNA)
where:
Base-Base interactions energy: -36.796
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.194
local terms energy: -53.223629
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -81.405625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.405625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.405625 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -33.197
Base-Backbone interact. energy: -0.256
local terms energy: -47.952608
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -95.684617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.684617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.684617 (E_RNA)
where:
Base-Base interactions energy: -42.995
where: short stacking energy: -36.443
Base-Backbone interact. energy: -0.035
local terms energy: -52.654398
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -209.905014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.905014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.905014 (E_RNA)
where:
Base-Base interactions energy: -128.302
where: short stacking energy: -82.094
Base-Backbone interact. energy: -0.001
local terms energy: -81.601842
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -211.391318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.391318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.391318 (E_RNA)
where:
Base-Base interactions energy: -129.967
where: short stacking energy: -72.623
Base-Backbone interact. energy: -0.011
local terms energy: -81.413972
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -186.972011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.972011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.972011 (E_RNA)
where:
Base-Base interactions energy: -111.536
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.277
local terms energy: -75.158876
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -178.136575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.136575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.136575 (E_RNA)
where:
Base-Base interactions energy: -107.158
where: short stacking energy: -57.579
Base-Backbone interact. energy: 2.155
local terms energy: -73.133514
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -170.093405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.093405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.093405 (E_RNA)
where:
Base-Base interactions energy: -96.291
where: short stacking energy: -57.770
Base-Backbone interact. energy: 0.332
local terms energy: -74.134764
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -156.732834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.732834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.732834 (E_RNA)
where:
Base-Base interactions energy: -90.733
where: short stacking energy: -47.607
Base-Backbone interact. energy: -0.230
local terms energy: -65.769711
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -94.530201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.530201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.530201 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.022
local terms energy: -58.498861
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -94.655562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.655562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.655562 (E_RNA)
where:
Base-Base interactions energy: -38.064
where: short stacking energy: -38.064
Base-Backbone interact. energy: -0.158
local terms energy: -56.433802
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -6.714
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: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -89.816024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816024 (E_RNA)
where:
Base-Base interactions energy: -32.052
where: short stacking energy: -29.976
Base-Backbone interact. energy: -0.047
local terms energy: -57.716373
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -6.720
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: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -82.549950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549950 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -13.498
Base-Backbone interact. energy: -0.241
local terms energy: -50.674843
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -2.629
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: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -215.477252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.477252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.477252 (E_RNA)
where:
Base-Base interactions energy: -131.202
where: short stacking energy: -78.240
Base-Backbone interact. energy: 0.674
local terms energy: -84.949538
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -219.159534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.159534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.159534 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.631
local terms energy: -86.851265
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -25.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -186.059378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.059378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.059378 (E_RNA)
where:
Base-Base interactions energy: -112.488
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.524
local terms energy: -73.046507
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -12.271
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: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -175.355173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.355173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.355173 (E_RNA)
where:
Base-Base interactions energy: -103.002
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.155
local terms energy: -72.197778
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -183.573227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.573227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.573227 (E_RNA)
where:
Base-Base interactions energy: -118.646
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.034
local terms energy: -64.893690
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -149.687915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.687915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.687915 (E_RNA)
where:
Base-Base interactions energy: -87.750
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.083
local terms energy: -61.855094
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -129.929708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.929708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.929708 (E_RNA)
where:
Base-Base interactions energy: -67.401
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.019
local terms energy: -62.510645
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -80.777264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.777264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.777264 (E_RNA)
where:
Base-Base interactions energy: -28.798
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.255
local terms energy: -51.724262
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -81.749707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.749707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.749707 (E_RNA)
where:
Base-Base interactions energy: -33.710
where: short stacking energy: -33.710
Base-Backbone interact. energy: 1.146
local terms energy: -49.186045
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -3.365
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -105.105613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.105613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.105613 (E_RNA)
where:
Base-Base interactions energy: -51.285
where: short stacking energy: -26.000
Base-Backbone interact. energy: -0.187
local terms energy: -53.634200
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -207.626794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.626794 (E_RNA)
where:
Base-Base interactions energy: -125.009
where: short stacking energy: -81.712
Base-Backbone interact. energy: -0.000
local terms energy: -82.617636
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -200.859270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.859270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.859270 (E_RNA)
where:
Base-Base interactions energy: -131.477
where: short stacking energy: -77.601
Base-Backbone interact. energy: -0.002
local terms energy: -69.380562
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -194.259491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.259491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.259491 (E_RNA)
where:
Base-Base interactions energy: -120.457
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.021
local terms energy: -73.782216
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -156.926357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.926357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.926357 (E_RNA)
where:
Base-Base interactions energy: -82.990
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.305
local terms energy: -73.631171
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -178.774459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.774459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.774459 (E_RNA)
where:
Base-Base interactions energy: -109.448
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.273
local terms energy: -69.053771
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -157.204693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.204693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.204693 (E_RNA)
where:
Base-Base interactions energy: -95.604
where: short stacking energy: -44.638
Base-Backbone interact. energy: -1.260
local terms energy: -60.340506
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -137.389681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.389681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.389681 (E_RNA)
where:
Base-Base interactions energy: -87.443
where: short stacking energy: -57.434
Base-Backbone interact. energy: -0.191
local terms energy: -49.755750
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -89.853106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.853106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.853106 (E_RNA)
where:
Base-Base interactions energy: -40.496
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.073
local terms energy: -49.284614
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -1.506
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -106.112776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.112776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.112776 (E_RNA)
where:
Base-Base interactions energy: -50.109
where: short stacking energy: -41.209
Base-Backbone interact. energy: 0.898
local terms energy: -56.900940
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -78.696375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.696375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.696375 (E_RNA)
where:
Base-Base interactions energy: -23.222
where: short stacking energy: -23.222
Base-Backbone interact. energy: -0.196
local terms energy: -55.278150
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -9.269
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: 247
Temperature: 0.900000
Total energy: -217.401470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.401470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.401470 (E_RNA)
where:
Base-Base interactions energy: -133.210
where: short stacking energy: -82.843
Base-Backbone interact. energy: -0.001
local terms energy: -84.190503
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -21.436
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: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -180.766608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766608 (E_RNA)
where:
Base-Base interactions energy: -111.690
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.008
local terms energy: -69.069090
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -193.571717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.571717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.571717 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -67.886
Base-Backbone interact. energy: -0.029
local terms energy: -69.730209
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -187.604653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.604653 (E_RNA)
where:
Base-Base interactions energy: -114.302
where: short stacking energy: -60.658
Base-Backbone interact. energy: 0.016
local terms energy: -73.318426
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.582
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: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -167.751609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.751609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.751609 (E_RNA)
where:
Base-Base interactions energy: -99.382
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.102
local terms energy: -68.266695
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -13.417
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: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -167.142587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.142587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.142587 (E_RNA)
where:
Base-Base interactions energy: -102.211
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.426
local terms energy: -64.505828
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.197
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: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -96.749196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.749196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.749196 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.150
local terms energy: -55.995276
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -8.815
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: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -95.423105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.423105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.423105 (E_RNA)
where:
Base-Base interactions energy: -50.459
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.387
local terms energy: -44.577520
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -7.443
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -91.697223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.697223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.697223 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.223
local terms energy: -56.543048
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -76.963551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.963551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.963551 (E_RNA)
where:
Base-Base interactions energy: -28.685
where: short stacking energy: -25.817
Base-Backbone interact. energy: -0.024
local terms energy: -48.254488
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -216.464363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.464363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.464363 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.069
local terms energy: -82.561193
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -180.765306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.765306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.765306 (E_RNA)
where:
Base-Base interactions energy: -114.047
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.007
local terms energy: -66.711421
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -199.135172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.135172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.135172 (E_RNA)
where:
Base-Base interactions energy: -128.178
where: short stacking energy: -76.125
Base-Backbone interact. energy: -0.675
local terms energy: -70.282371
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -190.075352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.075352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.075352 (E_RNA)
where:
Base-Base interactions energy: -118.177
where: short stacking energy: -59.118
Base-Backbone interact. energy: -1.004
local terms energy: -70.894834
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -176.579581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.579581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.579581 (E_RNA)
where:
Base-Base interactions energy: -103.800
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.282
local terms energy: -72.497589
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -164.204555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.204555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.204555 (E_RNA)
where:
Base-Base interactions energy: -101.013
where: short stacking energy: -53.894
Base-Backbone interact. energy: 0.780
local terms energy: -63.970757
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -2.041
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -93.196779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.196779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.196779 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.686
local terms energy: -61.541061
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -12.872
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: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -98.104632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.104632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.104632 (E_RNA)
where:
Base-Base interactions energy: -40.598
where: short stacking energy: -40.598
Base-Backbone interact. energy: -0.072
local terms energy: -57.435515
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -86.111444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.111444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.111444 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.051
local terms energy: -55.233526
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -76.776920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776920 (E_RNA)
where:
Base-Base interactions energy: -23.237
where: short stacking energy: -23.237
Base-Backbone interact. energy: 0.500
local terms energy: -54.040421
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -219.734941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.734941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.734941 (E_RNA)
where:
Base-Base interactions energy: -134.310
where: short stacking energy: -73.530
Base-Backbone interact. energy: 0.237
local terms energy: -85.661343
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -13.918
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: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -185.433674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.433674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.433674 (E_RNA)
where:
Base-Base interactions energy: -114.238
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.006
local terms energy: -71.190199
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -14.997
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: 249
Temperature: 1.000000
Total energy: -185.519191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519191 (E_RNA)
where:
Base-Base interactions energy: -110.138
where: short stacking energy: -60.370
Base-Backbone interact. energy: 2.891
local terms energy: -78.272074
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -12.087
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: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -194.441262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.441262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.441262 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -67.016
Base-Backbone interact. energy: -1.124
local terms energy: -70.989341
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -20.131
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: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -160.779186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.779186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.779186 (E_RNA)
where:
Base-Base interactions energy: -98.943
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.998
local terms energy: -60.838403
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.320
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: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -149.994053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.994053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.994053 (E_RNA)
where:
Base-Base interactions energy: -89.262
where: short stacking energy: -49.428
Base-Backbone interact. energy: 0.647
local terms energy: -61.379239
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -108.243156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.243156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.243156 (E_RNA)
where:
Base-Base interactions energy: -52.816
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.129
local terms energy: -55.298437
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -5.939
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: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -102.359420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.359420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.359420 (E_RNA)
where:
Base-Base interactions energy: -41.138
where: short stacking energy: -41.138
Base-Backbone interact. energy: 0.821
local terms energy: -62.042345
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -82.914556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914556 (E_RNA)
where:
Base-Base interactions energy: -23.431
where: short stacking energy: -24.074
Base-Backbone interact. energy: -0.302
local terms energy: -59.181298
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -3.305
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: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -84.828666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.828666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.828666 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -31.762
Base-Backbone interact. energy: -0.979
local terms energy: -48.732344
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -194.531638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.531638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.531638 (E_RNA)
where:
Base-Base interactions energy: -115.872
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.239
local terms energy: -78.420553
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -214.203545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.203545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.203545 (E_RNA)
where:
Base-Base interactions energy: -138.182
where: short stacking energy: -77.546
Base-Backbone interact. energy: -0.002
local terms energy: -76.019944
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -13.411
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -192.048348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.048348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.048348 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.292
local terms energy: -69.616011
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -13.041
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: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -175.728351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.728351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.728351 (E_RNA)
where:
Base-Base interactions energy: -103.125
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.022
local terms energy: -72.581244
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -162.792907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.792907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.792907 (E_RNA)
where:
Base-Base interactions energy: -95.785
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.186
local terms energy: -66.821693
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -6.212
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -146.670705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.670705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.670705 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -37.333
Base-Backbone interact. energy: -0.284
local terms energy: -57.899132
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -106.806321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.806321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.806321 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -43.908
Base-Backbone interact. energy: 1.327
local terms energy: -65.125671
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.206
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: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -91.183211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.183211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.183211 (E_RNA)
where:
Base-Base interactions energy: -34.051
where: short stacking energy: -31.386
Base-Backbone interact. energy: -0.069
local terms energy: -57.063680
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -85.448766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.448766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.448766 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -21.351
Base-Backbone interact. energy: 1.594
local terms energy: -51.237818
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.620
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: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -74.796774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.796774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.796774 (E_RNA)
where:
Base-Base interactions energy: -33.493
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.108
local terms energy: -41.194869
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: 1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -194.882314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.882314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.882314 (E_RNA)
where:
Base-Base interactions energy: -124.026
where: short stacking energy: -76.099
Base-Backbone interact. energy: 0.546
local terms energy: -71.402221
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -210.823118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.823118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.823118 (E_RNA)
where:
Base-Base interactions energy: -122.309
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.025
local terms energy: -88.488850
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -195.570045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.570045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.570045 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.004
local terms energy: -71.180254
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -169.940331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.940331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.940331 (E_RNA)
where:
Base-Base interactions energy: -98.896
where: short stacking energy: -58.944
Base-Backbone interact. energy: -0.032
local terms energy: -71.012365
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -166.162301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.162301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.162301 (E_RNA)
where:
Base-Base interactions energy: -104.653
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.215
local terms energy: -61.294554
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -153.198479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.198479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.198479 (E_RNA)
where:
Base-Base interactions energy: -80.821
where: short stacking energy: -46.209
Base-Backbone interact. energy: -0.075
local terms energy: -72.302180
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -106.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.437903 (E_RNA)
where:
Base-Base interactions energy: -45.561
where: short stacking energy: -43.956
Base-Backbone interact. energy: -0.197
local terms energy: -60.680272
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -110.545198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.545198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.545198 (E_RNA)
where:
Base-Base interactions energy: -57.309
where: short stacking energy: -33.708
Base-Backbone interact. energy: 0.049
local terms energy: -53.285178
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -6.480
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: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -96.232293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232293 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.051
local terms energy: -58.790703
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.128
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: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -79.051362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.051362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.051362 (E_RNA)
where:
Base-Base interactions energy: -27.975
where: short stacking energy: -22.333
Base-Backbone interact. energy: -0.456
local terms energy: -50.620591
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: 1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -215.514247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.514247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.514247 (E_RNA)
where:
Base-Base interactions energy: -132.251
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.172
local terms energy: -83.091066
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -184.558249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.558249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.558249 (E_RNA)
where:
Base-Base interactions energy: -113.734
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.010
local terms energy: -70.814352
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -191.354197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.354197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.354197 (E_RNA)
where:
Base-Base interactions energy: -116.174
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.410
local terms energy: -74.770940
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -178.872243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.872243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.872243 (E_RNA)
where:
Base-Base interactions energy: -109.425
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.051
local terms energy: -69.396263
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -17.803
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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -171.979680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.979680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.979680 (E_RNA)
where:
Base-Base interactions energy: -101.409
where: short stacking energy: -59.652
Base-Backbone interact. energy: -0.037
local terms energy: -70.534486
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -13.318
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: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -159.820010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.820010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.820010 (E_RNA)
where:
Base-Base interactions energy: -96.260
where: short stacking energy: -48.973
Base-Backbone interact. energy: 0.165
local terms energy: -63.725225
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -8.983
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: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -111.228367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.228367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.228367 (E_RNA)
where:
Base-Base interactions energy: -49.417
where: short stacking energy: -34.211
Base-Backbone interact. energy: -0.245
local terms energy: -61.567307
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -99.438390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.438390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.438390 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -35.598
Base-Backbone interact. energy: -0.106
local terms energy: -62.681949
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -84.503762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.503762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.503762 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.325
local terms energy: -42.948206
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: 1.899
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -79.902446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902446 (E_RNA)
where:
Base-Base interactions energy: -43.042
where: short stacking energy: -27.748
Base-Backbone interact. energy: -0.123
local terms energy: -36.738193
where:
bonds (distance) C4'-P energy: -6.104
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: 0.063
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: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -212.702304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.702304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.702304 (E_RNA)
where:
Base-Base interactions energy: -133.997
where: short stacking energy: -76.172
Base-Backbone interact. energy: -0.005
local terms energy: -78.699846
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -10.512
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: 253
Temperature: 0.950000
Total energy: -187.845044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.845044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.845044 (E_RNA)
where:
Base-Base interactions energy: -117.419
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.221
local terms energy: -70.205942
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -194.661153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.661153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.661153 (E_RNA)
where:
Base-Base interactions energy: -126.666
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.001
local terms energy: -67.994708
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -177.876948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.876948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.876948 (E_RNA)
where:
Base-Base interactions energy: -111.983
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.028
local terms energy: -65.866776
where:
bonds (distance) C4'-P energy: -7.545
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -16.943
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -168.896596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.896596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.896596 (E_RNA)
where:
Base-Base interactions energy: -97.760
where: short stacking energy: -49.947
Base-Backbone interact. energy: -0.388
local terms energy: -70.748074
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -15.958
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -141.830207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.830207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.830207 (E_RNA)
where:
Base-Base interactions energy: -92.121
where: short stacking energy: -55.646
Base-Backbone interact. energy: 1.023
local terms energy: -50.732766
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -106.890304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.890304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.890304 (E_RNA)
where:
Base-Base interactions energy: -47.476
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.004
local terms energy: -59.410308
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -80.566558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.566558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.566558 (E_RNA)
where:
Base-Base interactions energy: -25.749
where: short stacking energy: -25.749
Base-Backbone interact. energy: 0.472
local terms energy: -55.289461
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -89.617258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.617258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.617258 (E_RNA)
where:
Base-Base interactions energy: -37.764
where: short stacking energy: -37.764
Base-Backbone interact. energy: -0.163
local terms energy: -51.690829
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -7.009
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -75.256338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.256338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.256338 (E_RNA)
where:
Base-Base interactions energy: -31.359
where: short stacking energy: -23.842
Base-Backbone interact. energy: -0.246
local terms energy: -43.651725
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -216.953319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.953319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.953319 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -69.928
Base-Backbone interact. energy: -0.015
local terms energy: -86.617342
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -23.049
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: 254
Temperature: 0.950000
Total energy: -199.045655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.045655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.045655 (E_RNA)
where:
Base-Base interactions energy: -127.557
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.110
local terms energy: -71.379282
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -17.360
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: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -209.013334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.013334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.013334 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -74.849
Base-Backbone interact. energy: -0.001
local terms energy: -79.944424
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.712
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: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -175.389885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.389885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.389885 (E_RNA)
where:
Base-Base interactions energy: -102.658
where: short stacking energy: -56.014
Base-Backbone interact. energy: -0.119
local terms energy: -72.613229
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -15.588
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: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -165.791046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.791046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.791046 (E_RNA)
where:
Base-Base interactions energy: -93.412
where: short stacking energy: -44.654
Base-Backbone interact. energy: -0.191
local terms energy: -72.188098
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.655
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: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -148.478125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.478125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.478125 (E_RNA)
where:
Base-Base interactions energy: -92.353
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.078
local terms energy: -56.047456
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.266
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -121.949082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.949082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.949082 (E_RNA)
where:
Base-Base interactions energy: -63.384
where: short stacking energy: -44.040
Base-Backbone interact. energy: -0.231
local terms energy: -58.333433
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.382
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -98.098715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.098715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.098715 (E_RNA)
where:
Base-Base interactions energy: -45.729
where: short stacking energy: -17.250
Base-Backbone interact. energy: -0.324
local terms energy: -52.045917
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: 2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -92.695974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.695974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.695974 (E_RNA)
where:
Base-Base interactions energy: -46.995
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.138
local terms energy: -45.563024
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -9.505
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -3.279
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: 254
Temperature: 1.350000
Total energy: -91.365569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.365569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.365569 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.017
local terms energy: -55.868224
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -210.001566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001566 (E_RNA)
where:
Base-Base interactions energy: -129.617
where: short stacking energy: -69.916
Base-Backbone interact. energy: -0.009
local terms energy: -80.375008
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -205.956805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.956805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.956805 (E_RNA)
where:
Base-Base interactions energy: -128.368
where: short stacking energy: -80.104
Base-Backbone interact. energy: -0.019
local terms energy: -77.570650
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -198.646884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.646884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.646884 (E_RNA)
where:
Base-Base interactions energy: -121.700
where: short stacking energy: -64.138
Base-Backbone interact. energy: -0.047
local terms energy: -76.899055
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -160.898803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.898803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.898803 (E_RNA)
where:
Base-Base interactions energy: -101.620
where: short stacking energy: -45.854
Base-Backbone interact. energy: 0.879
local terms energy: -60.158178
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -162.108308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.108308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.108308 (E_RNA)
where:
Base-Base interactions energy: -96.293
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.069
local terms energy: -65.746418
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -12.458
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: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -144.702778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.702778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.702778 (E_RNA)
where:
Base-Base interactions energy: -75.744
where: short stacking energy: -39.985
Base-Backbone interact. energy: 0.954
local terms energy: -69.912838
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -106.402644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.402644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.402644 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.226
local terms energy: -55.363964
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.413
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: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -88.726812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.726812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.726812 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -33.147
Base-Backbone interact. energy: -0.047
local terms energy: -55.533366
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -85.341895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341895 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -35.567
Base-Backbone interact. energy: 0.152
local terms energy: -49.927012
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -7.594
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -79.443508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.443508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.443508 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -27.040
Base-Backbone interact. energy: 1.332
local terms energy: -53.735426
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -10.982
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: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -216.926004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.926004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.926004 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.308
local terms energy: -75.760695
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -206.134934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.134934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.134934 (E_RNA)
where:
Base-Base interactions energy: -129.425
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.001
local terms energy: -76.708486
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -172.979861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.979861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.979861 (E_RNA)
where:
Base-Base interactions energy: -105.973
where: short stacking energy: -48.854
Base-Backbone interact. energy: -0.400
local terms energy: -66.607283
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -10.394
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: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -182.001915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.001915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.001915 (E_RNA)
where:
Base-Base interactions energy: -112.941
where: short stacking energy: -66.341
Base-Backbone interact. energy: 0.549
local terms energy: -69.609790
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -159.244781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.244781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.244781 (E_RNA)
where:
Base-Base interactions energy: -85.413
where: short stacking energy: -44.206
Base-Backbone interact. energy: 0.266
local terms energy: -74.097866
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.597
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: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -148.618034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.618034 (E_RNA)
where:
Base-Base interactions energy: -89.809
where: short stacking energy: -52.609
Base-Backbone interact. energy: -0.155
local terms energy: -58.654380
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -121.874704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.874704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.874704 (E_RNA)
where:
Base-Base interactions energy: -72.370
where: short stacking energy: -33.109
Base-Backbone interact. energy: -1.114
local terms energy: -48.391088
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -7.682
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: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -114.075757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.075757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.075757 (E_RNA)
where:
Base-Base interactions energy: -64.103
where: short stacking energy: -36.020
Base-Backbone interact. energy: -0.219
local terms energy: -49.753876
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -6.786
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -6.429
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: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -79.931874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.931874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.931874 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -23.907
Base-Backbone interact. energy: -0.182
local terms energy: -48.495252
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -86.914274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.914274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.914274 (E_RNA)
where:
Base-Base interactions energy: -24.051
where: short stacking energy: -24.051
Base-Backbone interact. energy: -0.088
local terms energy: -62.774388
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.852
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: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -221.795529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.795529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795529 (E_RNA)
where:
Base-Base interactions energy: -144.692
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.176
local terms energy: -76.927267
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.944
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: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -202.090416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.090416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.090416 (E_RNA)
where:
Base-Base interactions energy: -126.656
where: short stacking energy: -77.178
Base-Backbone interact. energy: 0.076
local terms energy: -75.510020
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -181.487764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.487764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.487764 (E_RNA)
where:
Base-Base interactions energy: -111.235
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.118
local terms energy: -70.135330
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -176.437080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.437080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.437080 (E_RNA)
where:
Base-Base interactions energy: -106.199
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.110
local terms energy: -70.128817
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -170.793717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.793717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.793717 (E_RNA)
where:
Base-Base interactions energy: -100.718
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.065
local terms energy: -70.010546
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -7.053
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: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -176.915564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.915564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.915564 (E_RNA)
where:
Base-Base interactions energy: -107.528
where: short stacking energy: -64.975
Base-Backbone interact. energy: -1.273
local terms energy: -68.114911
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -18.193
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -141.570474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.570474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.570474 (E_RNA)
where:
Base-Base interactions energy: -78.720
where: short stacking energy: -36.525
Base-Backbone interact. energy: 0.171
local terms energy: -63.021034
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -96.416456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.416456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.416456 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -37.693
Base-Backbone interact. energy: -0.099
local terms energy: -54.827838
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.379
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: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -99.116983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.116983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.116983 (E_RNA)
where:
Base-Base interactions energy: -49.624
where: short stacking energy: -48.535
Base-Backbone interact. energy: -0.176
local terms energy: -49.316808
where:
bonds (distance) C4'-P energy: -6.476
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -85.238455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.238455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.238455 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -34.115
Base-Backbone interact. energy: 1.009
local terms energy: -52.132622
where:
bonds (distance) C4'-P energy: -6.137
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -9.455
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: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -209.252202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.252202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.252202 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.018
local terms energy: -78.227039
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -213.530310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.530310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.530310 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.449
local terms energy: -77.840259
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -177.475169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.475169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.475169 (E_RNA)
where:
Base-Base interactions energy: -105.366
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.516
local terms energy: -71.593703
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -165.371906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.371906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.371906 (E_RNA)
where:
Base-Base interactions energy: -94.326
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.086
local terms energy: -70.959797
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -179.317838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.317838 (E_RNA)
where:
Base-Base interactions energy: -108.595
where: short stacking energy: -59.740
Base-Backbone interact. energy: -0.015
local terms energy: -70.708653
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -9.723
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: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -162.984231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.984231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.984231 (E_RNA)
where:
Base-Base interactions energy: -90.875
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.158
local terms energy: -71.951074
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -149.344765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.344765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.344765 (E_RNA)
where:
Base-Base interactions energy: -80.960
where: short stacking energy: -41.981
Base-Backbone interact. energy: 0.172
local terms energy: -68.557380
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -15.404
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: 258
Temperature: 1.250000
Total energy: -82.458403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.458403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.458403 (E_RNA)
where:
Base-Base interactions energy: -23.736
where: short stacking energy: -23.663
Base-Backbone interact. energy: -0.301
local terms energy: -58.421651
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -88.188073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.188073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.188073 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.145
local terms energy: -57.029646
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -79.947731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.947731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.947731 (E_RNA)
where:
Base-Base interactions energy: -29.649
where: short stacking energy: -28.811
Base-Backbone interact. energy: 0.470
local terms energy: -50.768819
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -202.784012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.784012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.784012 (E_RNA)
where:
Base-Base interactions energy: -129.375
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.004
local terms energy: -73.405806
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -20.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -212.267153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.267153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.267153 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.139
local terms energy: -66.314753
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -171.439181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.439181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.439181 (E_RNA)
where:
Base-Base interactions energy: -95.721
where: short stacking energy: -54.187
Base-Backbone interact. energy: -0.342
local terms energy: -75.376642
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -176.741863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.741863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.741863 (E_RNA)
where:
Base-Base interactions energy: -103.021
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.188
local terms energy: -73.532440
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -176.804760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.804760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.804760 (E_RNA)
where:
Base-Base interactions energy: -116.076
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.048
local terms energy: -60.681354
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -13.842
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: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -158.873709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.873709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.873709 (E_RNA)
where:
Base-Base interactions energy: -89.078
where: short stacking energy: -58.289
Base-Backbone interact. energy: -0.022
local terms energy: -69.774393
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -155.590669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.590669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.590669 (E_RNA)
where:
Base-Base interactions energy: -97.708
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.124
local terms energy: -57.759015
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -103.703187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.703187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.703187 (E_RNA)
where:
Base-Base interactions energy: -48.743
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.307
local terms energy: -54.652940
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -12.762
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: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -92.337590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.337590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.337590 (E_RNA)
where:
Base-Base interactions energy: -28.477
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.152
local terms energy: -63.708204
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -96.820054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.820054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.820054 (E_RNA)
where:
Base-Base interactions energy: -42.522
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.383
local terms energy: -53.915050
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -205.857759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.857759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.857759 (E_RNA)
where:
Base-Base interactions energy: -128.977
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.545
local terms energy: -76.336069
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.245
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: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -204.767161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.767161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.767161 (E_RNA)
where:
Base-Base interactions energy: -126.151
where: short stacking energy: -70.550
Base-Backbone interact. energy: -0.397
local terms energy: -78.219854
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -163.150076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.150076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.150076 (E_RNA)
where:
Base-Base interactions energy: -97.515
where: short stacking energy: -48.605
Base-Backbone interact. energy: -0.980
local terms energy: -64.655588
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -14.871
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: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -170.154848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.154848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.154848 (E_RNA)
where:
Base-Base interactions energy: -100.784
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.232
local terms energy: -69.139249
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -178.354306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.354306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.354306 (E_RNA)
where:
Base-Base interactions energy: -110.638
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.001
local terms energy: -67.715550
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -144.246768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.246768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.246768 (E_RNA)
where:
Base-Base interactions energy: -78.319
where: short stacking energy: -38.794
Base-Backbone interact. energy: 1.052
local terms energy: -66.979531
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -10.382
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: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -151.285433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.285433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.285433 (E_RNA)
where:
Base-Base interactions energy: -82.662
where: short stacking energy: -46.683
Base-Backbone interact. energy: -0.063
local terms energy: -68.560677
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -85.168148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.168148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.168148 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -26.534
Base-Backbone interact. energy: 0.163
local terms energy: -45.590943
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -6.861
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -80.494945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.494945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.494945 (E_RNA)
where:
Base-Base interactions energy: -31.895
where: short stacking energy: -30.945
Base-Backbone interact. energy: 0.184
local terms energy: -48.784477
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -0.219
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -86.956552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.956552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.956552 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.743
Base-Backbone interact. energy: -0.322
local terms energy: -49.891036
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -211.260858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.260858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.260858 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -65.065
Base-Backbone interact. energy: -0.145
local terms energy: -80.995857
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -187.965514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.965514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.965514 (E_RNA)
where:
Base-Base interactions energy: -114.860
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.171
local terms energy: -72.935113
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.466
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: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -191.005672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.005672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.005672 (E_RNA)
where:
Base-Base interactions energy: -118.902
where: short stacking energy: -59.043
Base-Backbone interact. energy: 0.236
local terms energy: -72.339554
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -190.724378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.724378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.724378 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -72.584
Base-Backbone interact. energy: -0.036
local terms energy: -68.960952
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -164.554610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.554610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.554610 (E_RNA)
where:
Base-Base interactions energy: -100.750
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.659
local terms energy: -63.145337
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -11.489
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: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -160.065664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.065664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.065664 (E_RNA)
where:
Base-Base interactions energy: -98.278
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.816
local terms energy: -60.971210
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -144.344091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.344091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.344091 (E_RNA)
where:
Base-Base interactions energy: -82.767
where: short stacking energy: -41.377
Base-Backbone interact. energy: -0.177
local terms energy: -61.400382
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -100.353178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.353178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.353178 (E_RNA)
where:
Base-Base interactions energy: -47.719
where: short stacking energy: -36.152
Base-Backbone interact. energy: -0.302
local terms energy: -52.332358
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -87.329081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.329081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.329081 (E_RNA)
where:
Base-Base interactions energy: -43.499
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.115
local terms energy: -43.714786
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -1.024
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: 261
Temperature: 1.350000
Total energy: -77.937205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.937205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.937205 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -28.260
Base-Backbone interact. energy: 0.089
local terms energy: -49.766597
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: 1.189
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: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -210.331735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.331735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.331735 (E_RNA)
where:
Base-Base interactions energy: -136.899
where: short stacking energy: -73.568
Base-Backbone interact. energy: -0.493
local terms energy: -72.940157
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -182.780118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.780118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.780118 (E_RNA)
where:
Base-Base interactions energy: -109.273
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.062
local terms energy: -73.445047
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.798
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: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -197.029874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.029874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.029874 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -70.291
Base-Backbone interact. energy: -0.181
local terms energy: -78.578460
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -192.635534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.635534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.635534 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.005
local terms energy: -71.580168
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -6.817
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: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -171.699238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699238 (E_RNA)
where:
Base-Base interactions energy: -103.243
where: short stacking energy: -57.553
Base-Backbone interact. energy: -0.045
local terms energy: -68.411234
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -156.226248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.226248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.226248 (E_RNA)
where:
Base-Base interactions energy: -89.103
where: short stacking energy: -57.799
Base-Backbone interact. energy: 0.190
local terms energy: -67.313096
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -136.992182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.992182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.992182 (E_RNA)
where:
Base-Base interactions energy: -75.877
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.039
local terms energy: -61.075880
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -88.133372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.133372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.133372 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -35.480
Base-Backbone interact. energy: -0.111
local terms energy: -52.542317
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -8.198
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: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -88.283940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.283940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.283940 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.139
local terms energy: -50.900698
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -7.214
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -8.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -83.746442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.746442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.746442 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -34.782
Base-Backbone interact. energy: -0.059
local terms energy: -47.988510
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: 3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -208.312864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.312864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.312864 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -72.811
Base-Backbone interact. energy: -0.096
local terms energy: -78.128667
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -189.413096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.413096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.413096 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.060
local terms energy: -68.232923
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -173.728929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.728929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.728929 (E_RNA)
where:
Base-Base interactions energy: -99.663
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.075
local terms energy: -73.991220
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -14.957
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: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -159.610283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.610283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.610283 (E_RNA)
where:
Base-Base interactions energy: -94.209
where: short stacking energy: -53.321
Base-Backbone interact. energy: -0.006
local terms energy: -65.394533
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -173.420541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.420541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.420541 (E_RNA)
where:
Base-Base interactions energy: -108.087
where: short stacking energy: -43.528
Base-Backbone interact. energy: -0.240
local terms energy: -65.093761
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -155.678469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.678469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.678469 (E_RNA)
where:
Base-Base interactions energy: -87.797
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.015
local terms energy: -67.866991
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -159.548248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.548248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.548248 (E_RNA)
where:
Base-Base interactions energy: -94.699
where: short stacking energy: -47.922
Base-Backbone interact. energy: 0.844
local terms energy: -65.693052
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -11.416
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: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -90.150678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.150678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.150678 (E_RNA)
where:
Base-Base interactions energy: -40.158
where: short stacking energy: -31.972
Base-Backbone interact. energy: -0.464
local terms energy: -49.528188
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -90.366852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.366852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.366852 (E_RNA)
where:
Base-Base interactions energy: -34.149
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.018
local terms energy: -56.200412
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -9.145
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -81.802762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.802762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.802762 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -29.278
Base-Backbone interact. energy: -0.221
local terms energy: -43.971265
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -2.080
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: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -200.762242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.762242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.762242 (E_RNA)
where:
Base-Base interactions energy: -119.252
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.001
local terms energy: -81.509201
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -206.486184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486184 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -76.021
Base-Backbone interact. energy: -0.000
local terms energy: -76.984565
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -176.659911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.659911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.659911 (E_RNA)
where:
Base-Base interactions energy: -107.865
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.124
local terms energy: -68.670521
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -179.351666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.351666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.351666 (E_RNA)
where:
Base-Base interactions energy: -107.059
where: short stacking energy: -61.849
Base-Backbone interact. energy: 0.214
local terms energy: -72.506093
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -18.117
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: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -156.091103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.091103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.091103 (E_RNA)
where:
Base-Base interactions energy: -85.397
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.640
local terms energy: -70.054155
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -174.271778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.271778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.271778 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.115
local terms energy: -69.142784
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -163.809157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.809157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.809157 (E_RNA)
where:
Base-Base interactions energy: -108.052
where: short stacking energy: -52.527
Base-Backbone interact. energy: 0.267
local terms energy: -56.024541
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -83.357281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357281 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -34.385
Base-Backbone interact. energy: 0.860
local terms energy: -49.832776
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -82.471730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471730 (E_RNA)
where:
Base-Base interactions energy: -30.046
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.517
local terms energy: -51.908311
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: 0.164
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: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -82.138467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.138467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.138467 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.151
local terms energy: -48.972910
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -199.523646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.523646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.523646 (E_RNA)
where:
Base-Base interactions energy: -121.838
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.002
local terms energy: -77.683638
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.815
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: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -197.799118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.799118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.799118 (E_RNA)
where:
Base-Base interactions energy: -123.494
where: short stacking energy: -65.661
Base-Backbone interact. energy: 0.160
local terms energy: -74.465299
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -8.466
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: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -177.350346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.350346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.350346 (E_RNA)
where:
Base-Base interactions energy: -101.813
where: short stacking energy: -58.553
Base-Backbone interact. energy: 0.956
local terms energy: -76.493530
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -11.065
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: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -178.614088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.614088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.614088 (E_RNA)
where:
Base-Base interactions energy: -105.153
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.030
local terms energy: -73.430289
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -149.625068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.625068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.625068 (E_RNA)
where:
Base-Base interactions energy: -78.887
where: short stacking energy: -44.547
Base-Backbone interact. energy: -0.046
local terms energy: -70.691600
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -9.094
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: 265
Temperature: 1.150000
Total energy: -156.930919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.930919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.930919 (E_RNA)
where:
Base-Base interactions energy: -91.291
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.091
local terms energy: -65.549240
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -148.121856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.121856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.121856 (E_RNA)
where:
Base-Base interactions energy: -86.253
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.307
local terms energy: -61.561665
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -92.422578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.422578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.422578 (E_RNA)
where:
Base-Base interactions energy: -34.098
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.042
local terms energy: -58.282971
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -83.779115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.779115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.779115 (E_RNA)
where:
Base-Base interactions energy: -28.076
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.059
local terms energy: -55.643802
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -80.333502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.333502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.333502 (E_RNA)
where:
Base-Base interactions energy: -30.262
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.151
local terms energy: -49.920223
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.683
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: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -201.704931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.704931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.704931 (E_RNA)
where:
Base-Base interactions energy: -125.854
where: short stacking energy: -75.561
Base-Backbone interact. energy: -0.015
local terms energy: -75.835538
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -202.692372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.692372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.692372 (E_RNA)
where:
Base-Base interactions energy: -119.758
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.091
local terms energy: -82.843217
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -189.835046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.835046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.835046 (E_RNA)
where:
Base-Base interactions energy: -115.548
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.052
local terms energy: -74.234873
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -177.498588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.498588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.498588 (E_RNA)
where:
Base-Base interactions energy: -103.008
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.012
local terms energy: -74.479115
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -8.722
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: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -160.946775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.946775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.946775 (E_RNA)
where:
Base-Base interactions energy: -93.644
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.101
local terms energy: -67.202515
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -151.202007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.202007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.202007 (E_RNA)
where:
Base-Base interactions energy: -89.412
where: short stacking energy: -54.163
Base-Backbone interact. energy: -0.005
local terms energy: -61.785094
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -10.240
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: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -96.982011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.982011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.982011 (E_RNA)
where:
Base-Base interactions energy: -42.191
where: short stacking energy: -42.191
Base-Backbone interact. energy: 0.112
local terms energy: -54.903111
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -79.391143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.391143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.391143 (E_RNA)
where:
Base-Base interactions energy: -27.753
where: short stacking energy: -21.210
Base-Backbone interact. energy: -0.446
local terms energy: -51.191602
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -89.385255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385255 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.041
local terms energy: -60.205789
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -87.331647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.331647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.331647 (E_RNA)
where:
Base-Base interactions energy: -34.897
where: short stacking energy: -34.938
Base-Backbone interact. energy: -0.144
local terms energy: -52.291370
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -210.627036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.627036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.627036 (E_RNA)
where:
Base-Base interactions energy: -125.270
where: short stacking energy: -73.390
Base-Backbone interact. energy: -0.020
local terms energy: -85.337243
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -186.045354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.045354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.045354 (E_RNA)
where:
Base-Base interactions energy: -108.657
where: short stacking energy: -67.117
Base-Backbone interact. energy: -1.176
local terms energy: -76.211951
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -193.145460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.145460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.145460 (E_RNA)
where:
Base-Base interactions energy: -119.264
where: short stacking energy: -70.004
Base-Backbone interact. energy: 0.408
local terms energy: -74.289137
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -176.670614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.670614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.670614 (E_RNA)
where:
Base-Base interactions energy: -114.299
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.207
local terms energy: -62.164742
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -171.875169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.875169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.875169 (E_RNA)
where:
Base-Base interactions energy: -111.737
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.196
local terms energy: -59.942434
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -161.283817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.283817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.283817 (E_RNA)
where:
Base-Base interactions energy: -96.256
where: short stacking energy: -52.298
Base-Backbone interact. energy: -0.001
local terms energy: -65.027275
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -6.159
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: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -115.498618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.498618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.498618 (E_RNA)
where:
Base-Base interactions energy: -68.734
where: short stacking energy: -37.576
Base-Backbone interact. energy: -0.106
local terms energy: -46.658782
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -98.590592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.590592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.590592 (E_RNA)
where:
Base-Base interactions energy: -48.780
where: short stacking energy: -37.397
Base-Backbone interact. energy: -0.107
local terms energy: -49.702932
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -94.160991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.160991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.160991 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -38.376
Base-Backbone interact. energy: -0.078
local terms energy: -55.706987
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -12.049
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: 267
Temperature: 1.350000
Total energy: -91.761296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.761296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.761296 (E_RNA)
where:
Base-Base interactions energy: -48.432
where: short stacking energy: -27.854
Base-Backbone interact. energy: -0.211
local terms energy: -43.117828
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -0.625
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -199.989930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.989930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.989930 (E_RNA)
where:
Base-Base interactions energy: -122.887
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.000
local terms energy: -77.102926
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.714
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -182.463689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.463689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463689 (E_RNA)
where:
Base-Base interactions energy: -108.923
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.014
local terms energy: -73.527090
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -180.670692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.670692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.670692 (E_RNA)
where:
Base-Base interactions energy: -110.969
where: short stacking energy: -53.967
Base-Backbone interact. energy: 0.567
local terms energy: -70.268997
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -195.011980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.011980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.011980 (E_RNA)
where:
Base-Base interactions energy: -121.632
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.462
local terms energy: -72.918046
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -185.429677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.429677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.429677 (E_RNA)
where:
Base-Base interactions energy: -107.136
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.003
local terms energy: -78.290683
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -152.534769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.534769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.534769 (E_RNA)
where:
Base-Base interactions energy: -84.927
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.028
local terms energy: -67.579728
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -107.401626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.401626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.401626 (E_RNA)
where:
Base-Base interactions energy: -58.989
where: short stacking energy: -30.459
Base-Backbone interact. energy: -0.164
local terms energy: -48.248736
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -5.997
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -5.563
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: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -104.218551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.218551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.218551 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -45.560
Base-Backbone interact. energy: -0.091
local terms energy: -58.489098
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -112.797750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.797750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.797750 (E_RNA)
where:
Base-Base interactions energy: -59.154
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.128
local terms energy: -53.516371
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -78.979424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.979424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.979424 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.025
local terms energy: -51.209197
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -209.100756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.100756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.100756 (E_RNA)
where:
Base-Base interactions energy: -127.936
where: short stacking energy: -73.760
Base-Backbone interact. energy: -0.002
local terms energy: -81.162883
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -194.561072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.561072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.561072 (E_RNA)
where:
Base-Base interactions energy: -113.065
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.009
local terms energy: -81.487552
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -189.677077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.677077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.677077 (E_RNA)
where:
Base-Base interactions energy: -123.922
where: short stacking energy: -66.832
Base-Backbone interact. energy: -0.003
local terms energy: -65.751866
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.027
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: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -177.950957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.950957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.950957 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.096
local terms energy: -72.047232
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -182.478273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.478273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.478273 (E_RNA)
where:
Base-Base interactions energy: -106.247
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.093
local terms energy: -76.138068
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -152.535794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.535794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.535794 (E_RNA)
where:
Base-Base interactions energy: -98.702
where: short stacking energy: -44.186
Base-Backbone interact. energy: 1.009
local terms energy: -54.842971
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -110.798256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.798256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.798256 (E_RNA)
where:
Base-Base interactions energy: -45.710
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.042
local terms energy: -65.046037
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -87.357546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357546 (E_RNA)
where:
Base-Base interactions energy: -32.003
where: short stacking energy: -20.266
Base-Backbone interact. energy: -0.353
local terms energy: -55.001910
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: 0.537
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: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -103.033407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.033407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.033407 (E_RNA)
where:
Base-Base interactions energy: -53.141
where: short stacking energy: -27.784
Base-Backbone interact. energy: -0.021
local terms energy: -49.871651
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -7.996
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: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -80.341357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341357 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.281
local terms energy: -42.371220
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -3.324
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: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -209.788437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.788437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.788437 (E_RNA)
where:
Base-Base interactions energy: -127.111
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.000
local terms energy: -82.677140
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -20.775
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: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -192.583404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.583404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.583404 (E_RNA)
where:
Base-Base interactions energy: -112.140
where: short stacking energy: -69.584
Base-Backbone interact. energy: 2.140
local terms energy: -82.583830
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -20.570
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -197.871118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.871118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.871118 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -70.665
Base-Backbone interact. energy: 3.182
local terms energy: -75.177939
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -12.436
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: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -173.450626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.450626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.450626 (E_RNA)
where:
Base-Base interactions energy: -107.372
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.119
local terms energy: -65.960424
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -11.566
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: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -184.147830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.147830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.147830 (E_RNA)
where:
Base-Base interactions energy: -113.558
where: short stacking energy: -69.698
Base-Backbone interact. energy: -0.001
local terms energy: -70.588775
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -18.495
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: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -154.541097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.541097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.541097 (E_RNA)
where:
Base-Base interactions energy: -87.853
where: short stacking energy: -50.972
Base-Backbone interact. energy: 0.658
local terms energy: -67.346066
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -96.254915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.254915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.254915 (E_RNA)
where:
Base-Base interactions energy: -41.861
where: short stacking energy: -36.900
Base-Backbone interact. energy: -0.699
local terms energy: -53.695019
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -107.373564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.373564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.373564 (E_RNA)
where:
Base-Base interactions energy: -37.357
where: short stacking energy: -36.396
Base-Backbone interact. energy: -0.357
local terms energy: -69.659037
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -78.886187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.886187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.886187 (E_RNA)
where:
Base-Base interactions energy: -26.084
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.308
local terms energy: -52.494919
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -84.760245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.760245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.760245 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -23.474
Base-Backbone interact. energy: -0.040
local terms energy: -53.103822
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -205.214414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.214414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.214414 (E_RNA)
where:
Base-Base interactions energy: -123.949
where: short stacking energy: -74.287
Base-Backbone interact. energy: -0.003
local terms energy: -81.262925
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -20.836
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: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -199.247869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.247869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.247869 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.083
local terms energy: -70.271066
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -192.030553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.030553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.030553 (E_RNA)
where:
Base-Base interactions energy: -106.342
where: short stacking energy: -68.466
Base-Backbone interact. energy: -0.043
local terms energy: -85.645188
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -184.063624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.063624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.063624 (E_RNA)
where:
Base-Base interactions energy: -120.936
where: short stacking energy: -56.367
Base-Backbone interact. energy: -0.340
local terms energy: -62.788148
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -10.807
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: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -161.440474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.440474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.440474 (E_RNA)
where:
Base-Base interactions energy: -102.218
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.009
local terms energy: -59.213094
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -10.886
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: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -156.519132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.519132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.519132 (E_RNA)
where:
Base-Base interactions energy: -90.356
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.185
local terms energy: -65.978256
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -15.150
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: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -95.714621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.714621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.714621 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -25.061
Base-Backbone interact. energy: -0.193
local terms energy: -57.699156
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -81.386420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.386420 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.569
local terms energy: -46.615856
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -5.891
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: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -94.631849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.631849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.631849 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -38.956
Base-Backbone interact. energy: -0.105
local terms energy: -55.570247
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.074
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: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -83.273780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.273780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.273780 (E_RNA)
where:
Base-Base interactions energy: -29.291
where: short stacking energy: -29.291
Base-Backbone interact. energy: -0.007
local terms energy: -53.975791
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -5.276
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: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -202.167952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.167952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.167952 (E_RNA)
where:
Base-Base interactions energy: -121.599
where: short stacking energy: -70.016
Base-Backbone interact. energy: 2.328
local terms energy: -82.897133
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -187.397354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.397354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.397354 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.026
local terms energy: -73.494940
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -11.123
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: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -181.054547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.054547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.054547 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -54.885
Base-Backbone interact. energy: -0.328
local terms energy: -66.181183
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -168.027513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.027513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.027513 (E_RNA)
where:
Base-Base interactions energy: -99.217
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.050
local terms energy: -68.760414
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -11.052
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: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -175.246027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.246027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.246027 (E_RNA)
where:
Base-Base interactions energy: -113.397
where: short stacking energy: -63.569
Base-Backbone interact. energy: -0.114
local terms energy: -61.735651
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -178.372933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.372933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.372933 (E_RNA)
where:
Base-Base interactions energy: -109.581
where: short stacking energy: -65.788
Base-Backbone interact. energy: -0.254
local terms energy: -68.538179
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -98.513770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.513770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.513770 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.004
local terms energy: -64.100662
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -94.806278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.806278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.806278 (E_RNA)
where:
Base-Base interactions energy: -39.777
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.177
local terms energy: -54.851742
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -95.885149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.885149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.885149 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.143
local terms energy: -50.516370
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -96.729582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.729582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.729582 (E_RNA)
where:
Base-Base interactions energy: -35.863
where: short stacking energy: -36.063
Base-Backbone interact. energy: 0.690
local terms energy: -61.556148
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -206.116784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.116784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.116784 (E_RNA)
where:
Base-Base interactions energy: -126.636
where: short stacking energy: -77.215
Base-Backbone interact. energy: -0.118
local terms energy: -79.362246
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -196.106146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.106146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.106146 (E_RNA)
where:
Base-Base interactions energy: -123.496
where: short stacking energy: -70.498
Base-Backbone interact. energy: -0.001
local terms energy: -72.608837
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -194.765880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.765880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.765880 (E_RNA)
where:
Base-Base interactions energy: -121.352
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.663
local terms energy: -72.751451
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -9.986
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: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -176.117647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.117647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.117647 (E_RNA)
where:
Base-Base interactions energy: -111.096
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.002
local terms energy: -65.018780
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -160.605746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.605746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.605746 (E_RNA)
where:
Base-Base interactions energy: -90.963
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.041
local terms energy: -69.602249
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -184.067893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.067893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.067893 (E_RNA)
where:
Base-Base interactions energy: -110.359
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.018
local terms energy: -73.690875
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -13.605
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: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -101.940958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.940958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.940958 (E_RNA)
where:
Base-Base interactions energy: -38.388
where: short stacking energy: -38.388
Base-Backbone interact. energy: -0.042
local terms energy: -63.510822
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -11.690
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: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -98.024524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.024524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.024524 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -35.081
Base-Backbone interact. energy: -0.321
local terms energy: -56.633439
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -89.610200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.610200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.610200 (E_RNA)
where:
Base-Base interactions energy: -47.479
where: short stacking energy: -31.052
Base-Backbone interact. energy: -0.284
local terms energy: -41.846596
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -5.104
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -3.945
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: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -84.049569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.049569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.049569 (E_RNA)
where:
Base-Base interactions energy: -31.006
where: short stacking energy: -28.096
Base-Backbone interact. energy: -0.197
local terms energy: -52.845803
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -1.636
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: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -200.531470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.531470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.531470 (E_RNA)
where:
Base-Base interactions energy: -118.350
where: short stacking energy: -76.144
Base-Backbone interact. energy: -0.013
local terms energy: -82.168796
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -193.932811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.932811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.932811 (E_RNA)
where:
Base-Base interactions energy: -115.273
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.608
local terms energy: -78.051052
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -11.369
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -185.697274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.697274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.697274 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.782
local terms energy: -72.045439
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -174.436944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.436944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.436944 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.105
local terms energy: -70.271874
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -182.530139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.530139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.530139 (E_RNA)
where:
Base-Base interactions energy: -112.537
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.067
local terms energy: -69.926230
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -8.517
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: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -149.729928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.729928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.729928 (E_RNA)
where:
Base-Base interactions energy: -85.968
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.214
local terms energy: -63.547961
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -7.331
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -97.447537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.447537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.447537 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -29.945
Base-Backbone interact. energy: -0.078
local terms energy: -59.392689
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -95.389142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.389142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.389142 (E_RNA)
where:
Base-Base interactions energy: -41.077
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.162
local terms energy: -54.150288
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -95.841955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.841955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.841955 (E_RNA)
where:
Base-Base interactions energy: -43.418
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.670
local terms energy: -51.753293
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.168
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: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -85.633134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633134 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.177
local terms energy: -49.830161
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -182.682918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.682918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.682918 (E_RNA)
where:
Base-Base interactions energy: -115.680
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.088
local terms energy: -66.914522
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -184.564522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.564522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.564522 (E_RNA)
where:
Base-Base interactions energy: -111.814
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.154
local terms energy: -72.596151
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -195.971719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.971719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.971719 (E_RNA)
where:
Base-Base interactions energy: -124.463
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.010
local terms energy: -71.498985
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -178.333994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.333994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.333994 (E_RNA)
where:
Base-Base interactions energy: -108.308
where: short stacking energy: -50.023
Base-Backbone interact. energy: -0.076
local terms energy: -69.949670
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -180.763690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.763690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.763690 (E_RNA)
where:
Base-Base interactions energy: -106.622
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.001
local terms energy: -74.141281
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -174.777706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777706 (E_RNA)
where:
Base-Base interactions energy: -96.984
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.002
local terms energy: -77.792303
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -101.948734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.948734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.948734 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.070
local terms energy: -62.234541
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.464
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: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -95.827055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.827055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.827055 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -32.300
Base-Backbone interact. energy: -1.257
local terms energy: -62.270943
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -90.763887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.763887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.763887 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -28.951
Base-Backbone interact. energy: -0.045
local terms energy: -58.860517
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -82.196757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.196757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.196757 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -26.921
Base-Backbone interact. energy: -0.242
local terms energy: -50.709998
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -201.788658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.788658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.788658 (E_RNA)
where:
Base-Base interactions energy: -122.423
where: short stacking energy: -74.082
Base-Backbone interact. energy: -0.323
local terms energy: -79.042416
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -21.918
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -183.215154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.215154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.215154 (E_RNA)
where:
Base-Base interactions energy: -110.016
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.066
local terms energy: -73.133239
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -180.713052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.713052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713052 (E_RNA)
where:
Base-Base interactions energy: -111.673
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.082
local terms energy: -68.958341
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.944
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: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -191.419617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.419617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.419617 (E_RNA)
where:
Base-Base interactions energy: -119.468
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.001
local terms energy: -71.950769
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -20.924
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: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -171.420442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.420442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.420442 (E_RNA)
where:
Base-Base interactions energy: -101.152
where: short stacking energy: -56.869
Base-Backbone interact. energy: -0.145
local terms energy: -70.122943
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -179.670174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.670174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.670174 (E_RNA)
where:
Base-Base interactions energy: -107.615
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.001
local terms energy: -72.054440
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -99.182317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.182317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.182317 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -38.726
Base-Backbone interact. energy: -0.057
local terms energy: -60.399413
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -6.456
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -7.543
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: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -86.848048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848048 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -31.209
Base-Backbone interact. energy: -0.443
local terms energy: -54.206467
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -86.276590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.276590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.276590 (E_RNA)
where:
Base-Base interactions energy: -44.136
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.070
local terms energy: -42.070204
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -1.938
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: 276
Temperature: 1.350000
Total energy: -84.854638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.854638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.854638 (E_RNA)
where:
Base-Base interactions energy: -40.679
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.164
local terms energy: -44.011201
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -0.845
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -204.433842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.433842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.433842 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -74.838
Base-Backbone interact. energy: -0.031
local terms energy: -80.648425
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -180.284892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.284892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.284892 (E_RNA)
where:
Base-Base interactions energy: -100.552
where: short stacking energy: -60.174
Base-Backbone interact. energy: -0.693
local terms energy: -79.040390
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -20.190
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: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -171.319176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.319176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.319176 (E_RNA)
where:
Base-Base interactions energy: -95.305
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.299
local terms energy: -75.715058
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -159.966839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.966839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.966839 (E_RNA)
where:
Base-Base interactions energy: -95.319
where: short stacking energy: -53.788
Base-Backbone interact. energy: 1.053
local terms energy: -65.700718
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -183.179212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.179212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.179212 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.027
local terms energy: -65.879966
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -116.702311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.702311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.702311 (E_RNA)
where:
Base-Base interactions energy: -64.995
where: short stacking energy: -31.987
Base-Backbone interact. energy: 0.128
local terms energy: -51.835146
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -2.144
tors. eta vs tors. theta energy: -1.547
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: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -96.560437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.560437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.560437 (E_RNA)
where:
Base-Base interactions energy: -38.395
where: short stacking energy: -38.395
Base-Backbone interact. energy: -0.239
local terms energy: -57.926391
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -92.523957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.523957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.523957 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.038
local terms energy: -55.916816
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -90.463456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.463456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.463456 (E_RNA)
where:
Base-Base interactions energy: -36.335
where: short stacking energy: -23.204
Base-Backbone interact. energy: -0.012
local terms energy: -54.116104
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.623
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: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -83.437934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.437934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.437934 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -23.116
Base-Backbone interact. energy: 0.281
local terms energy: -46.000585
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -1.851
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: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -186.215839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.215839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215839 (E_RNA)
where:
Base-Base interactions energy: -104.094
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.046
local terms energy: -82.075857
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -202.598803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.598803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.598803 (E_RNA)
where:
Base-Base interactions energy: -125.394
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.300
local terms energy: -76.904587
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -186.181309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.181309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.181309 (E_RNA)
where:
Base-Base interactions energy: -115.303
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.005
local terms energy: -70.873193
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -159.672819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.672819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.672819 (E_RNA)
where:
Base-Base interactions energy: -88.276
where: short stacking energy: -47.998
Base-Backbone interact. energy: -0.097
local terms energy: -71.299302
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -122.586917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.586917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.586917 (E_RNA)
where:
Base-Base interactions energy: -54.952
where: short stacking energy: -54.952
Base-Backbone interact. energy: 1.645
local terms energy: -69.280310
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -9.986
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: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -185.149587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.149587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.149587 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.231
local terms energy: -67.870587
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -17.678
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -101.362050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.362050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.362050 (E_RNA)
where:
Base-Base interactions energy: -44.122
where: short stacking energy: -44.122
Base-Backbone interact. energy: -0.584
local terms energy: -56.656622
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -94.782666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.782666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.782666 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.001
local terms energy: -62.327303
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -83.666228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.666228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.666228 (E_RNA)
where:
Base-Base interactions energy: -25.804
where: short stacking energy: -15.002
Base-Backbone interact. energy: -0.295
local terms energy: -57.566949
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -90.345121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345121 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -35.055
Base-Backbone interact. energy: -0.007
local terms energy: -51.561949
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -184.134353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.134353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.134353 (E_RNA)
where:
Base-Base interactions energy: -111.075
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.050
local terms energy: -73.009926
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -14.880
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: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -194.274238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.274238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.274238 (E_RNA)
where:
Base-Base interactions energy: -118.591
where: short stacking energy: -72.630
Base-Backbone interact. energy: -0.005
local terms energy: -75.677830
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.574
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -184.305590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.305590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.305590 (E_RNA)
where:
Base-Base interactions energy: -110.290
where: short stacking energy: -57.711
Base-Backbone interact. energy: -1.139
local terms energy: -72.876130
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -16.814
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: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -160.953251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.953251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.953251 (E_RNA)
where:
Base-Base interactions energy: -94.576
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.277
local terms energy: -66.100066
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -107.800689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.800689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.800689 (E_RNA)
where:
Base-Base interactions energy: -46.341
where: short stacking energy: -38.150
Base-Backbone interact. energy: -0.193
local terms energy: -61.266842
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -172.487154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.487154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.487154 (E_RNA)
where:
Base-Base interactions energy: -102.263
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.074
local terms energy: -70.149798
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -104.735337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.735337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.735337 (E_RNA)
where:
Base-Base interactions energy: -39.081
where: short stacking energy: -39.081
Base-Backbone interact. energy: -0.134
local terms energy: -65.520288
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -8.700
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: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -95.462530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.462530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.462530 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.004
local terms energy: -57.888970
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -78.738690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.738690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.738690 (E_RNA)
where:
Base-Base interactions energy: -27.825
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.235
local terms energy: -50.679025
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.882568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882568 (E_RNA)
where:
Base-Base interactions energy: -27.615
where: short stacking energy: -27.615
Base-Backbone interact. energy: -0.022
local terms energy: -53.245734
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -204.173091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.173091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.173091 (E_RNA)
where:
Base-Base interactions energy: -123.599
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.001
local terms energy: -80.573101
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -22.931
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: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -183.663890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.663890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.663890 (E_RNA)
where:
Base-Base interactions energy: -107.085
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.193
local terms energy: -76.385134
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -18.333
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: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -185.650847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.650847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.650847 (E_RNA)
where:
Base-Base interactions energy: -110.713
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.045
local terms energy: -74.892582
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -182.118311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.118311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.118311 (E_RNA)
where:
Base-Base interactions energy: -105.334
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.119
local terms energy: -76.665492
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -188.126540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126540 (E_RNA)
where:
Base-Base interactions energy: -121.729
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.011
local terms energy: -66.386837
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -16.412
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: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -111.155550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.155550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.155550 (E_RNA)
where:
Base-Base interactions energy: -51.294
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.127
local terms energy: -59.733815
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -96.118084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.118084 (E_RNA)
where:
Base-Base interactions energy: -32.176
where: short stacking energy: -32.176
Base-Backbone interact. energy: -0.143
local terms energy: -63.799429
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -8.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -104.101836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.101836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.101836 (E_RNA)
where:
Base-Base interactions energy: -46.283
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.208
local terms energy: -57.610456
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -91.004610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.004610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.004610 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -31.561
Base-Backbone interact. energy: -0.043
local terms energy: -58.781871
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -83.322812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.322812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.322812 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -28.900
Base-Backbone interact. energy: -1.190
local terms energy: -53.232819
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -203.178798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.178798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.178798 (E_RNA)
where:
Base-Base interactions energy: -124.505
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.027
local terms energy: -78.647157
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -176.670470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.670470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.670470 (E_RNA)
where:
Base-Base interactions energy: -103.428
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.020
local terms energy: -73.223041
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -176.714889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.714889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.714889 (E_RNA)
where:
Base-Base interactions energy: -103.966
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.067
local terms energy: -72.682391
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -184.323135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.323135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.323135 (E_RNA)
where:
Base-Base interactions energy: -113.488
where: short stacking energy: -64.922
Base-Backbone interact. energy: 0.264
local terms energy: -71.098713
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -16.139
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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -170.057961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.057961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.057961 (E_RNA)
where:
Base-Base interactions energy: -102.944
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.054
local terms energy: -67.059559
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -152.186435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.186435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.186435 (E_RNA)
where:
Base-Base interactions energy: -90.684
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.033
local terms energy: -61.469135
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -112.309225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.309225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.309225 (E_RNA)
where:
Base-Base interactions energy: -54.211
where: short stacking energy: -45.684
Base-Backbone interact. energy: -0.126
local terms energy: -57.972953
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -92.116724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116724 (E_RNA)
where:
Base-Base interactions energy: -34.824
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.026
local terms energy: -57.266832
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.516
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: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -84.065418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.065418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.065418 (E_RNA)
where:
Base-Base interactions energy: -37.212
where: short stacking energy: -23.002
Base-Backbone interact. energy: -0.233
local terms energy: -46.620069
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -0.714
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: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -89.221722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221722 (E_RNA)
where:
Base-Base interactions energy: -28.770
where: short stacking energy: -28.770
Base-Backbone interact. energy: -0.241
local terms energy: -60.211153
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -195.068345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.068345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068345 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -70.858
Base-Backbone interact. energy: -0.072
local terms energy: -79.159315
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -183.310201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.310201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.310201 (E_RNA)
where:
Base-Base interactions energy: -104.967
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.153
local terms energy: -78.189871
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -189.108326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.108326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.108326 (E_RNA)
where:
Base-Base interactions energy: -113.279
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.087
local terms energy: -75.742006
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -168.167877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.167877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.167877 (E_RNA)
where:
Base-Base interactions energy: -101.379
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.099
local terms energy: -66.689816
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -172.382597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.382597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.382597 (E_RNA)
where:
Base-Base interactions energy: -105.540
where: short stacking energy: -55.827
Base-Backbone interact. energy: -0.027
local terms energy: -66.815411
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -148.509404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.509404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.509404 (E_RNA)
where:
Base-Base interactions energy: -83.544
where: short stacking energy: -44.779
Base-Backbone interact. energy: -0.218
local terms energy: -64.747188
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -12.058
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: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -98.634331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.634331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.634331 (E_RNA)
where:
Base-Base interactions energy: -36.377
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.001
local terms energy: -62.256635
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -98.570332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.570332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.570332 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.040
local terms energy: -60.811773
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -88.095866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.095866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.095866 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.089
local terms energy: -56.666631
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -8.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -76.276371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.276371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.276371 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -20.753
Base-Backbone interact. energy: -0.227
local terms energy: -46.999206
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -194.896899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.896899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.896899 (E_RNA)
where:
Base-Base interactions energy: -113.755
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.181
local terms energy: -80.960747
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -17.265
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: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -191.256386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.256386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.256386 (E_RNA)
where:
Base-Base interactions energy: -118.929
where: short stacking energy: -61.311
Base-Backbone interact. energy: -0.014
local terms energy: -72.313214
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -174.315986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.315986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.315986 (E_RNA)
where:
Base-Base interactions energy: -112.901
where: short stacking energy: -62.936
Base-Backbone interact. energy: -0.163
local terms energy: -61.252159
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -168.444190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.444190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.444190 (E_RNA)
where:
Base-Base interactions energy: -104.046
where: short stacking energy: -49.300
Base-Backbone interact. energy: -0.451
local terms energy: -63.946598
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -158.588970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.588970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.588970 (E_RNA)
where:
Base-Base interactions energy: -88.395
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.004
local terms energy: -70.190545
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -12.428
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: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -150.535906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.535906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.535906 (E_RNA)
where:
Base-Base interactions energy: -93.359
where: short stacking energy: -40.435
Base-Backbone interact. energy: 0.974
local terms energy: -58.151076
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -87.917724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.917724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.917724 (E_RNA)
where:
Base-Base interactions energy: -37.119
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.112
local terms energy: -50.686693
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -86.514408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.514408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.514408 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -27.454
Base-Backbone interact. energy: -0.126
local terms energy: -47.450921
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -2.240
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -89.373029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373029 (E_RNA)
where:
Base-Base interactions energy: -31.360
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.326
local terms energy: -57.686882
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -88.245357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.245357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.245357 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -38.974
Base-Backbone interact. energy: -0.037
local terms energy: -48.791726
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -186.653809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.653809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.653809 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.137
local terms energy: -78.017404
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -21.954
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: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -189.430115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430115 (E_RNA)
where:
Base-Base interactions energy: -120.329
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.113
local terms energy: -68.988410
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -193.344430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.344430 (E_RNA)
where:
Base-Base interactions energy: -113.866
where: short stacking energy: -65.547
Base-Backbone interact. energy: -1.832
local terms energy: -77.646542
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -164.906605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.906605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.906605 (E_RNA)
where:
Base-Base interactions energy: -105.413
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.080
local terms energy: -59.414096
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -13.276
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: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -161.310837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.310837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.310837 (E_RNA)
where:
Base-Base interactions energy: -88.660
where: short stacking energy: -55.677
Base-Backbone interact. energy: -1.033
local terms energy: -71.618223
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -160.545377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.545377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.545377 (E_RNA)
where:
Base-Base interactions energy: -92.813
where: short stacking energy: -47.772
Base-Backbone interact. energy: -0.175
local terms energy: -67.557200
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.406
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: 284
Temperature: 1.200000
Total energy: -97.860740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.860740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.860740 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -26.236
Base-Backbone interact. energy: -0.199
local terms energy: -58.791571
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -88.480896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.480896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.480896 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -30.354
Base-Backbone interact. energy: -0.052
local terms energy: -56.430495
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -91.114922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.114922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.114922 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.057
local terms energy: -55.801957
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -7.588
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: 284
Temperature: 1.350000
Total energy: -82.995561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995561 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -28.431
Base-Backbone interact. energy: 0.152
local terms energy: -54.816441
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -3.599
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: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -192.794032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.794032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.794032 (E_RNA)
where:
Base-Base interactions energy: -121.932
where: short stacking energy: -62.644
Base-Backbone interact. energy: -0.027
local terms energy: -70.834347
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -189.898641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898641 (E_RNA)
where:
Base-Base interactions energy: -117.019
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.118
local terms energy: -72.762240
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -190.367612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.367612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.367612 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.059
local terms energy: -72.597311
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -152.685605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.685605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.685605 (E_RNA)
where:
Base-Base interactions energy: -84.891
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.163
local terms energy: -67.630831
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -162.020369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.020369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.020369 (E_RNA)
where:
Base-Base interactions energy: -96.780
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.401
local terms energy: -64.839349
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -8.056
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: 285
Temperature: 1.150000
Total energy: -153.603645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.603645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.603645 (E_RNA)
where:
Base-Base interactions energy: -90.028
where: short stacking energy: -45.728
Base-Backbone interact. energy: -0.249
local terms energy: -63.326118
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.643
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: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -91.594589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.594589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.594589 (E_RNA)
where:
Base-Base interactions energy: -39.969
where: short stacking energy: -27.492
Base-Backbone interact. energy: 0.699
local terms energy: -52.325050
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -95.626950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626950 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.011
local terms energy: -58.548932
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.698
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: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -88.560593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.560593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.560593 (E_RNA)
where:
Base-Base interactions energy: -31.300
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.174
local terms energy: -57.086266
where:
bonds (distance) C4'-P energy: -8.280
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -5.250
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: 285
Temperature: 1.350000
Total energy: -87.014465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.014465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.014465 (E_RNA)
where:
Base-Base interactions energy: -27.172
where: short stacking energy: -27.172
Base-Backbone interact. energy: -0.075
local terms energy: -59.767139
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -7.423
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: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -199.111156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.111156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.111156 (E_RNA)
where:
Base-Base interactions energy: -121.327
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.068
local terms energy: -77.716262
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -189.687517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.687517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.687517 (E_RNA)
where:
Base-Base interactions energy: -116.519
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.133
local terms energy: -73.035616
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -10.809
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: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -177.447104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.447104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.447104 (E_RNA)
where:
Base-Base interactions energy: -115.595
where: short stacking energy: -57.555
Base-Backbone interact. energy: -0.034
local terms energy: -61.818077
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -15.893
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: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -172.140441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.140441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.140441 (E_RNA)
where:
Base-Base interactions energy: -102.081
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.003
local terms energy: -70.055868
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -15.928
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: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -159.056097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.056097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.056097 (E_RNA)
where:
Base-Base interactions energy: -96.058
where: short stacking energy: -54.085
Base-Backbone interact. energy: -0.269
local terms energy: -62.728530
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -159.157823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.157823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.157823 (E_RNA)
where:
Base-Base interactions energy: -91.457
where: short stacking energy: -43.657
Base-Backbone interact. energy: 0.085
local terms energy: -67.785211
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -91.627372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.627372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.627372 (E_RNA)
where:
Base-Base interactions energy: -40.010
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.143
local terms energy: -51.474457
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -104.994030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.994030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.994030 (E_RNA)
where:
Base-Base interactions energy: -57.004
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.286
local terms energy: -47.703928
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -78.864788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.864788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.864788 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.116
local terms energy: -48.376556
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: 0.187
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: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -68.698415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.698415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.698415 (E_RNA)
where:
Base-Base interactions energy: -28.199
where: short stacking energy: -18.897
Base-Backbone interact. energy: -0.340
local terms energy: -40.158947
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: 6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -190.091299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.091299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.091299 (E_RNA)
where:
Base-Base interactions energy: -110.332
where: short stacking energy: -61.348
Base-Backbone interact. energy: -0.126
local terms energy: -79.632551
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -193.128554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.128554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.128554 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -65.930
Base-Backbone interact. energy: -0.009
local terms energy: -71.627400
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -185.653349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.653349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.653349 (E_RNA)
where:
Base-Base interactions energy: -108.491
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.028
local terms energy: -77.134716
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.817
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: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -169.729582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.729582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.729582 (E_RNA)
where:
Base-Base interactions energy: -103.664
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.001
local terms energy: -66.064385
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -12.931
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: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -172.662211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.662211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.662211 (E_RNA)
where:
Base-Base interactions energy: -99.946
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.150
local terms energy: -72.566265
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -17.961
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: 287
Temperature: 1.150000
Total energy: -143.046361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.046361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.046361 (E_RNA)
where:
Base-Base interactions energy: -75.002
where: short stacking energy: -36.985
Base-Backbone interact. energy: -0.083
local terms energy: -67.961475
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.537
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: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -108.054398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.054398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.054398 (E_RNA)
where:
Base-Base interactions energy: -49.831
where: short stacking energy: -49.831
Base-Backbone interact. energy: -0.111
local terms energy: -58.112365
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -150.445685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.445685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.445685 (E_RNA)
where:
Base-Base interactions energy: -97.432
where: short stacking energy: -51.612
Base-Backbone interact. energy: -0.425
local terms energy: -52.588650
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -92.429686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429686 (E_RNA)
where:
Base-Base interactions energy: -41.770
where: short stacking energy: -30.039
Base-Backbone interact. energy: 0.972
local terms energy: -51.631077
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -93.301589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301589 (E_RNA)
where:
Base-Base interactions energy: -34.242
where: short stacking energy: -34.242
Base-Backbone interact. energy: -0.113
local terms energy: -58.945720
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -190.566010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.566010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.566010 (E_RNA)
where:
Base-Base interactions energy: -108.800
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.327
local terms energy: -81.438635
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -181.697968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.697968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.697968 (E_RNA)
where:
Base-Base interactions energy: -107.876
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.363
local terms energy: -73.458501
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -174.603338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.603338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.603338 (E_RNA)
where:
Base-Base interactions energy: -100.703
where: short stacking energy: -53.279
Base-Backbone interact. energy: 1.029
local terms energy: -74.929871
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -181.408643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.408643 (E_RNA)
where:
Base-Base interactions energy: -112.458
where: short stacking energy: -54.620
Base-Backbone interact. energy: -0.146
local terms energy: -68.805047
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.656
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: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -153.849707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.849707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.849707 (E_RNA)
where:
Base-Base interactions energy: -85.635
where: short stacking energy: -49.208
Base-Backbone interact. energy: 1.054
local terms energy: -69.268529
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -155.878068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.878068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.878068 (E_RNA)
where:
Base-Base interactions energy: -88.980
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.119
local terms energy: -66.778817
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -135.173522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.173522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.173522 (E_RNA)
where:
Base-Base interactions energy: -79.844
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.441
local terms energy: -54.888711
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -84.007936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.007936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.007936 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -27.265
Base-Backbone interact. energy: -0.426
local terms energy: -52.284304
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.501
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: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -87.595040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.595040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.595040 (E_RNA)
where:
Base-Base interactions energy: -30.209
where: short stacking energy: -24.816
Base-Backbone interact. energy: -0.119
local terms energy: -57.266863
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -10.361
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: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -84.977632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.977632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.977632 (E_RNA)
where:
Base-Base interactions energy: -27.041
where: short stacking energy: -27.041
Base-Backbone interact. energy: -0.018
local terms energy: -57.918395
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -4.569
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: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -195.500713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.500713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.500713 (E_RNA)
where:
Base-Base interactions energy: -122.807
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.258
local terms energy: -72.435387
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -189.492704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.492704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.492704 (E_RNA)
where:
Base-Base interactions energy: -116.640
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.063
local terms energy: -72.789232
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -176.076298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.076298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.076298 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -50.334
Base-Backbone interact. energy: -0.117
local terms energy: -71.228937
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -12.964
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: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -190.564055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.564055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.564055 (E_RNA)
where:
Base-Base interactions energy: -117.723
where: short stacking energy: -64.226
Base-Backbone interact. energy: 0.127
local terms energy: -72.967846
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -152.616340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.616340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.616340 (E_RNA)
where:
Base-Base interactions energy: -83.234
where: short stacking energy: -50.301
Base-Backbone interact. energy: -0.106
local terms energy: -69.276479
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -162.678021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.678021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.678021 (E_RNA)
where:
Base-Base interactions energy: -99.285
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.050
local terms energy: -63.343153
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -8.329
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -148.642558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.642558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.642558 (E_RNA)
where:
Base-Base interactions energy: -81.665
where: short stacking energy: -48.143
Base-Backbone interact. energy: -0.127
local terms energy: -66.850215
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.409
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: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.411402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.411402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.411402 (E_RNA)
where:
Base-Base interactions energy: -38.260
where: short stacking energy: -38.260
Base-Backbone interact. energy: 0.038
local terms energy: -54.189611
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -86.152741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.152741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.152741 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.088
local terms energy: -47.457632
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -87.220360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.220360 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -25.426
Base-Backbone interact. energy: 0.533
local terms energy: -51.846638
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -7.899
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: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -199.681665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.681665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.681665 (E_RNA)
where:
Base-Base interactions energy: -122.197
where: short stacking energy: -73.114
Base-Backbone interact. energy: -0.106
local terms energy: -77.378710
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -182.850639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.850639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.850639 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.746
local terms energy: -74.294286
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -188.069426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069426 (E_RNA)
where:
Base-Base interactions energy: -117.473
where: short stacking energy: -65.155
Base-Backbone interact. energy: -0.022
local terms energy: -70.574066
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -184.340600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.340600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.340600 (E_RNA)
where:
Base-Base interactions energy: -110.939
where: short stacking energy: -56.408
Base-Backbone interact. energy: 0.606
local terms energy: -74.007792
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -179.131776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.131776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.131776 (E_RNA)
where:
Base-Base interactions energy: -104.243
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.014
local terms energy: -74.874848
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -19.562
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -145.988826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.988826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.988826 (E_RNA)
where:
Base-Base interactions energy: -84.151
where: short stacking energy: -52.937
Base-Backbone interact. energy: 0.221
local terms energy: -62.058683
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -133.708174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.708174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.708174 (E_RNA)
where:
Base-Base interactions energy: -80.446
where: short stacking energy: -49.315
Base-Backbone interact. energy: -0.048
local terms energy: -53.214408
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -9.272
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -86.008060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.008060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.008060 (E_RNA)
where:
Base-Base interactions energy: -34.912
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.163
local terms energy: -50.933473
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -7.738
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -5.710
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: 290
Temperature: 1.300000
Total energy: -97.144040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.144040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.144040 (E_RNA)
where:
Base-Base interactions energy: -45.689
where: short stacking energy: -41.323
Base-Backbone interact. energy: -0.033
local terms energy: -51.422282
where:
bonds (distance) C4'-P energy: -6.178
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -101.559796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.559796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.559796 (E_RNA)
where:
Base-Base interactions energy: -52.573
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.453
local terms energy: -48.533732
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -197.044549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.044549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.044549 (E_RNA)
where:
Base-Base interactions energy: -120.645
where: short stacking energy: -70.591
Base-Backbone interact. energy: -0.093
local terms energy: -76.305836
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -187.114135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.114135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.114135 (E_RNA)
where:
Base-Base interactions energy: -112.777
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.000
local terms energy: -74.337096
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -186.076401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.076401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.076401 (E_RNA)
where:
Base-Base interactions energy: -119.910
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.233
local terms energy: -65.933545
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -191.185298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.185298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.185298 (E_RNA)
where:
Base-Base interactions energy: -113.840
where: short stacking energy: -73.104
Base-Backbone interact. energy: -0.023
local terms energy: -77.323113
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -18.632
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: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -168.698530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.698530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.698530 (E_RNA)
where:
Base-Base interactions energy: -97.739
where: short stacking energy: -59.724
Base-Backbone interact. energy: 0.364
local terms energy: -71.323494
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -13.549
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -149.351386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.351386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.351386 (E_RNA)
where:
Base-Base interactions energy: -88.137
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.164
local terms energy: -61.050121
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -97.620473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.620473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.620473 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -39.220
Base-Backbone interact. energy: -0.135
local terms energy: -57.344365
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -94.928340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.928340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.928340 (E_RNA)
where:
Base-Base interactions energy: -39.845
where: short stacking energy: -39.845
Base-Backbone interact. energy: -0.143
local terms energy: -54.940295
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -6.618
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: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -84.265432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265432 (E_RNA)
where:
Base-Base interactions energy: -26.071
where: short stacking energy: -26.071
Base-Backbone interact. energy: -0.291
local terms energy: -57.902965
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -78.053446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.053446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.053446 (E_RNA)
where:
Base-Base interactions energy: -25.771
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.076
local terms energy: -52.205866
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -195.242451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.242451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.242451 (E_RNA)
where:
Base-Base interactions energy: -118.580
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.000
local terms energy: -76.661897
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -202.551414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.551414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.551414 (E_RNA)
where:
Base-Base interactions energy: -124.588
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.140
local terms energy: -77.823080
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -183.102737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.102737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.102737 (E_RNA)
where:
Base-Base interactions energy: -104.705
where: short stacking energy: -55.556
Base-Backbone interact. energy: -0.097
local terms energy: -78.300778
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -162.695784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.695784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.695784 (E_RNA)
where:
Base-Base interactions energy: -93.531
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.006
local terms energy: -69.159483
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -162.301544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.301544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.301544 (E_RNA)
where:
Base-Base interactions energy: -94.303
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.073
local terms energy: -67.925744
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -6.039
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: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -157.493948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.493948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.493948 (E_RNA)
where:
Base-Base interactions energy: -92.563
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.006
local terms energy: -64.925085
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -103.731719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.731719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.731719 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -41.850
Base-Backbone interact. energy: -0.069
local terms energy: -61.811863
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -97.523769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.523769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.523769 (E_RNA)
where:
Base-Base interactions energy: -50.713
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.126
local terms energy: -46.684857
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -4.278
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: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -81.885000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.885000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.885000 (E_RNA)
where:
Base-Base interactions energy: -29.064
where: short stacking energy: -29.064
Base-Backbone interact. energy: -1.372
local terms energy: -51.449229
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -73.961501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.961501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.961501 (E_RNA)
where:
Base-Base interactions energy: -25.737
where: short stacking energy: -23.203
Base-Backbone interact. energy: -0.064
local terms energy: -48.160955
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -172.428928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.428928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.428928 (E_RNA)
where:
Base-Base interactions energy: -96.246
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.595
local terms energy: -75.587710
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -195.751950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.751950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.751950 (E_RNA)
where:
Base-Base interactions energy: -113.698
where: short stacking energy: -62.955
Base-Backbone interact. energy: -0.033
local terms energy: -82.020853
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -201.975973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.975973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.975973 (E_RNA)
where:
Base-Base interactions energy: -123.309
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.002
local terms energy: -78.665004
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -19.704
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: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -156.880550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.880550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.880550 (E_RNA)
where:
Base-Base interactions energy: -82.969
where: short stacking energy: -54.771
Base-Backbone interact. energy: -0.058
local terms energy: -73.853016
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -14.826
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: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -164.274008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.274008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.274008 (E_RNA)
where:
Base-Base interactions energy: -100.245
where: short stacking energy: -60.950
Base-Backbone interact. energy: -0.122
local terms energy: -63.907376
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.308
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: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -158.693270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.693270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.693270 (E_RNA)
where:
Base-Base interactions energy: -92.402
where: short stacking energy: -48.388
Base-Backbone interact. energy: -0.073
local terms energy: -66.218599
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -9.844
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: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -107.720479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.720479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.720479 (E_RNA)
where:
Base-Base interactions energy: -53.419
where: short stacking energy: -38.095
Base-Backbone interact. energy: -0.120
local terms energy: -54.180958
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -5.229
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: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -95.399235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.399235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.399235 (E_RNA)
where:
Base-Base interactions energy: -33.490
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.396
local terms energy: -61.513258
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -83.876433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876433 (E_RNA)
where:
Base-Base interactions energy: -32.024
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.055
local terms energy: -51.797735
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -85.713367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.713367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.713367 (E_RNA)
where:
Base-Base interactions energy: -28.218
where: short stacking energy: -28.218
Base-Backbone interact. energy: -0.485
local terms energy: -57.010216
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -202.033515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.033515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.033515 (E_RNA)
where:
Base-Base interactions energy: -124.413
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.030
local terms energy: -77.590511
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -168.031368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.031368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.031368 (E_RNA)
where:
Base-Base interactions energy: -104.574
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.033
local terms energy: -63.423673
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -13.839
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: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -204.595792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.595792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.595792 (E_RNA)
where:
Base-Base interactions energy: -127.970
where: short stacking energy: -64.009
Base-Backbone interact. energy: -0.240
local terms energy: -76.385569
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -157.965113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.965113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.965113 (E_RNA)
where:
Base-Base interactions energy: -89.539
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.010
local terms energy: -68.416130
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -160.731607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.731607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.731607 (E_RNA)
where:
Base-Base interactions energy: -91.644
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.053
local terms energy: -69.034404
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -158.981497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.981497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.981497 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -53.575
Base-Backbone interact. energy: 0.433
local terms energy: -67.308376
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -11.720
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: 294
Temperature: 1.200000
Total energy: -91.392737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392737 (E_RNA)
where:
Base-Base interactions energy: -41.743
where: short stacking energy: -40.431
Base-Backbone interact. energy: -0.279
local terms energy: -49.371059
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -2.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -90.803960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.803960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.803960 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.039
local terms energy: -56.196400
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -95.724215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.724215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.724215 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.373
local terms energy: -61.101414
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -6.411
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: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -78.623622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.623622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.623622 (E_RNA)
where:
Base-Base interactions energy: -25.056
where: short stacking energy: -25.056
Base-Backbone interact. energy: 1.073
local terms energy: -54.640294
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -204.084987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.084987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.084987 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.033
local terms energy: -83.183008
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -203.581607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.581607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.581607 (E_RNA)
where:
Base-Base interactions energy: -133.418
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.405
local terms energy: -69.758387
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -19.220
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -162.588453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.588453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.588453 (E_RNA)
where:
Base-Base interactions energy: -97.317
where: short stacking energy: -49.290
Base-Backbone interact. energy: 0.354
local terms energy: -65.625670
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -166.635241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.635241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.635241 (E_RNA)
where:
Base-Base interactions energy: -98.358
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.182
local terms energy: -68.095197
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -142.340196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.340196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.340196 (E_RNA)
where:
Base-Base interactions energy: -72.027
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.164
local terms energy: -70.149397
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -168.468579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.468579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.468579 (E_RNA)
where:
Base-Base interactions energy: -96.601
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.695
local terms energy: -71.172463
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -108.077220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.077220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.077220 (E_RNA)
where:
Base-Base interactions energy: -59.830
where: short stacking energy: -53.033
Base-Backbone interact. energy: 0.555
local terms energy: -48.801540
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -6.768
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -86.911579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.911579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.911579 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -39.766
Base-Backbone interact. energy: -0.202
local terms energy: -45.892249
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -3.609
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: 295
Temperature: 1.300000
Total energy: -79.491089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.491089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.491089 (E_RNA)
where:
Base-Base interactions energy: -25.423
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.029
local terms energy: -54.039511
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -80.479472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.479472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.479472 (E_RNA)
where:
Base-Base interactions energy: -33.183
where: short stacking energy: -23.453
Base-Backbone interact. energy: -0.159
local terms energy: -47.138064
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -3.875
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: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -198.092969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.092969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.092969 (E_RNA)
where:
Base-Base interactions energy: -121.595
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.178
local terms energy: -76.320290
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -192.580350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.580350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580350 (E_RNA)
where:
Base-Base interactions energy: -122.203
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.138
local terms energy: -70.238592
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.281
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: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -179.203326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.203326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.203326 (E_RNA)
where:
Base-Base interactions energy: -104.226
where: short stacking energy: -53.847
Base-Backbone interact. energy: -0.035
local terms energy: -74.942183
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -187.064237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.064237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.064237 (E_RNA)
where:
Base-Base interactions energy: -106.295
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.108
local terms energy: -80.661027
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -156.664313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.664313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.664313 (E_RNA)
where:
Base-Base interactions energy: -99.366
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.016
local terms energy: -57.282714
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -148.903111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.903111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.903111 (E_RNA)
where:
Base-Base interactions energy: -94.244
where: short stacking energy: -52.526
Base-Backbone interact. energy: -0.125
local terms energy: -54.534021
where:
bonds (distance) C4'-P energy: -7.100
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -91.246298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.246298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.246298 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -41.217
Base-Backbone interact. energy: -0.027
local terms energy: -48.372073
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -3.304
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: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -87.998930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998930 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.497
local terms energy: -57.800832
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -10.750
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: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -98.684905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.684905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.684905 (E_RNA)
where:
Base-Base interactions energy: -40.352
where: short stacking energy: -40.352
Base-Backbone interact. energy: 0.237
local terms energy: -58.569604
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.000398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.000398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.000398 (E_RNA)
where:
Base-Base interactions energy: -27.597
where: short stacking energy: -27.597
Base-Backbone interact. energy: -0.444
local terms energy: -49.958956
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -199.889276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.889276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.889276 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -71.449
Base-Backbone interact. energy: -0.123
local terms energy: -72.724052
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -20.482
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: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -187.566957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.566957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.566957 (E_RNA)
where:
Base-Base interactions energy: -114.062
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.715
local terms energy: -72.790152
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -196.387070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.387070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.387070 (E_RNA)
where:
Base-Base interactions energy: -114.742
where: short stacking energy: -66.265
Base-Backbone interact. energy: -0.122
local terms energy: -81.522815
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -168.099304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.099304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.099304 (E_RNA)
where:
Base-Base interactions energy: -99.833
where: short stacking energy: -54.688
Base-Backbone interact. energy: -0.913
local terms energy: -67.353960
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -171.611895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.611895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.611895 (E_RNA)
where:
Base-Base interactions energy: -108.197
where: short stacking energy: -58.650
Base-Backbone interact. energy: 0.182
local terms energy: -63.597193
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -144.561013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.561013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.561013 (E_RNA)
where:
Base-Base interactions energy: -78.532
where: short stacking energy: -40.927
Base-Backbone interact. energy: -0.107
local terms energy: -65.922204
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -93.125624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.125624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.125624 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -29.781
Base-Backbone interact. energy: -0.064
local terms energy: -63.280810
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -97.219035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219035 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -38.693
Base-Backbone interact. energy: -0.034
local terms energy: -58.493012
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -89.399946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.399946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.399946 (E_RNA)
where:
Base-Base interactions energy: -30.127
where: short stacking energy: -19.114
Base-Backbone interact. energy: 0.042
local terms energy: -59.314290
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -76.972530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.972530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.972530 (E_RNA)
where:
Base-Base interactions energy: -40.894
where: short stacking energy: -19.099
Base-Backbone interact. energy: -0.185
local terms energy: -35.893735
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: 2.983
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -202.555564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.555564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.555564 (E_RNA)
where:
Base-Base interactions energy: -125.577
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.587
local terms energy: -76.390880
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -21.962
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: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -205.660648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.660648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660648 (E_RNA)
where:
Base-Base interactions energy: -127.749
where: short stacking energy: -71.213
Base-Backbone interact. energy: -0.012
local terms energy: -77.899903
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -181.048774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.048774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.048774 (E_RNA)
where:
Base-Base interactions energy: -107.346
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.008
local terms energy: -73.694614
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -176.806831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.806831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.806831 (E_RNA)
where:
Base-Base interactions energy: -101.778
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.001
local terms energy: -75.027466
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -15.736
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -161.304755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.304755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.304755 (E_RNA)
where:
Base-Base interactions energy: -100.741
where: short stacking energy: -52.602
Base-Backbone interact. energy: -0.731
local terms energy: -59.833417
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -160.940243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.940243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.940243 (E_RNA)
where:
Base-Base interactions energy: -99.863
where: short stacking energy: -51.415
Base-Backbone interact. energy: -1.170
local terms energy: -59.907126
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -100.684788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.684788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.684788 (E_RNA)
where:
Base-Base interactions energy: -47.359
where: short stacking energy: -42.231
Base-Backbone interact. energy: 1.298
local terms energy: -54.624216
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -6.703
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: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -85.735025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735025 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.076
local terms energy: -51.790748
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -95.587872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.587872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.587872 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -36.659
Base-Backbone interact. energy: -0.293
local terms energy: -57.740411
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -90.780023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.780023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.780023 (E_RNA)
where:
Base-Base interactions energy: -38.400
where: short stacking energy: -21.232
Base-Backbone interact. energy: -0.328
local terms energy: -52.052820
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -9.462
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: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -201.681799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.681799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.681799 (E_RNA)
where:
Base-Base interactions energy: -121.211
where: short stacking energy: -68.391
Base-Backbone interact. energy: -0.010
local terms energy: -80.460155
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -7.931
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: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -202.897211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.897211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.897211 (E_RNA)
where:
Base-Base interactions energy: -119.075
where: short stacking energy: -68.727
Base-Backbone interact. energy: -0.355
local terms energy: -83.466970
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -11.382
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: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -182.323670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.323670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.323670 (E_RNA)
where:
Base-Base interactions energy: -100.284
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.007
local terms energy: -82.032313
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -19.935
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: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -178.452791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.452791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.452791 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.055
local terms energy: -74.483023
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -16.755
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: 299
Temperature: 1.100000
Total energy: -174.553745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.553745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.553745 (E_RNA)
where:
Base-Base interactions energy: -100.455
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.018
local terms energy: -74.080168
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -163.191662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.191662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.191662 (E_RNA)
where:
Base-Base interactions energy: -103.587
where: short stacking energy: -56.586
Base-Backbone interact. energy: -0.114
local terms energy: -59.490690
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -11.235
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: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -97.813841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.813841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.813841 (E_RNA)
where:
Base-Base interactions energy: -41.977
where: short stacking energy: -42.177
Base-Backbone interact. energy: -0.036
local terms energy: -55.800585
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -94.110662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110662 (E_RNA)
where:
Base-Base interactions energy: -34.479
where: short stacking energy: -32.129
Base-Backbone interact. energy: -0.564
local terms energy: -59.068086
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -82.266593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.266593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.266593 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -23.049
Base-Backbone interact. energy: -0.106
local terms energy: -55.206487
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -80.981429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.981429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.981429 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -34.810
Base-Backbone interact. energy: -0.017
local terms energy: -46.155121
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -4.103
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: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -202.820685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820685 (E_RNA)
where:
Base-Base interactions energy: -123.698
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.660
local terms energy: -78.462309
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -199.162928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.162928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.162928 (E_RNA)
where:
Base-Base interactions energy: -122.363
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.001
local terms energy: -76.799399
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -195.880178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.880178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.880178 (E_RNA)
where:
Base-Base interactions energy: -110.830
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.010
local terms energy: -85.039649
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -19.067
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: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -177.252565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.252565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.252565 (E_RNA)
where:
Base-Base interactions energy: -106.708
where: short stacking energy: -60.691
Base-Backbone interact. energy: 0.228
local terms energy: -70.772509
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -164.589648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.589648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.589648 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.335
local terms energy: -55.794411
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -158.550166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.550166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.550166 (E_RNA)
where:
Base-Base interactions energy: -89.442
where: short stacking energy: -51.578
Base-Backbone interact. energy: 0.028
local terms energy: -69.136090
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -108.328421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.328421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.328421 (E_RNA)
where:
Base-Base interactions energy: -49.197
where: short stacking energy: -45.653
Base-Backbone interact. energy: -0.424
local terms energy: -58.707568
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -12.345
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: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -92.067483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.067483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.067483 (E_RNA)
where:
Base-Base interactions energy: -42.368
where: short stacking energy: -33.957
Base-Backbone interact. energy: 1.677
local terms energy: -51.376201
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -83.349331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349331 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -18.479
Base-Backbone interact. energy: 0.044
local terms energy: -49.113678
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -85.983474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.983474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.983474 (E_RNA)
where:
Base-Base interactions energy: -28.565
where: short stacking energy: -26.999
Base-Backbone interact. energy: -0.186
local terms energy: -57.232679
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.030
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: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -208.445168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.445168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.445168 (E_RNA)
where:
Base-Base interactions energy: -131.364
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.081
local terms energy: -76.999651
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -204.910363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.910363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.910363 (E_RNA)
where:
Base-Base interactions energy: -126.164
where: short stacking energy: -75.221
Base-Backbone interact. energy: -0.001
local terms energy: -78.746175
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -22.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -200.491652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.491652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.491652 (E_RNA)
where:
Base-Base interactions energy: -123.275
where: short stacking energy: -80.444
Base-Backbone interact. energy: -1.057
local terms energy: -76.160422
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -174.297069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.297069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.297069 (E_RNA)
where:
Base-Base interactions energy: -104.342
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.000
local terms energy: -69.954821
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -10.601
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: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -153.427817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.427817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.427817 (E_RNA)
where:
Base-Base interactions energy: -85.960
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.036
local terms energy: -67.431694
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -140.956047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.956047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.956047 (E_RNA)
where:
Base-Base interactions energy: -81.198
where: short stacking energy: -35.046
Base-Backbone interact. energy: -0.254
local terms energy: -59.504061
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -101.209879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.209879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.209879 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.066
local terms energy: -62.519829
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -102.032565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.032565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.032565 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -38.225
Base-Backbone interact. energy: -0.083
local terms energy: -63.725053
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -82.744691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.744691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.744691 (E_RNA)
where:
Base-Base interactions energy: -33.416
where: short stacking energy: -33.416
Base-Backbone interact. energy: 0.699
local terms energy: -50.027129
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -86.300041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300041 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -30.339
Base-Backbone interact. energy: -0.069
local terms energy: -55.892627
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -187.577344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.577344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.577344 (E_RNA)
where:
Base-Base interactions energy: -110.712
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.021
local terms energy: -76.844669
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -11.277
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: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -193.889858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.889858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.889858 (E_RNA)
where:
Base-Base interactions energy: -119.437
where: short stacking energy: -65.764
Base-Backbone interact. energy: -0.288
local terms energy: -74.165200
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -177.412575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.412575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.412575 (E_RNA)
where:
Base-Base interactions energy: -104.570
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.091
local terms energy: -72.751861
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.885
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -174.382239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.382239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.382239 (E_RNA)
where:
Base-Base interactions energy: -106.368
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.004
local terms energy: -68.010264
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -6.644
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: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -168.791754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.791754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.791754 (E_RNA)
where:
Base-Base interactions energy: -99.912
where: short stacking energy: -56.499
Base-Backbone interact. energy: -1.675
local terms energy: -67.204285
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.269
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: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -162.965846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.965846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.965846 (E_RNA)
where:
Base-Base interactions energy: -94.154
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.129
local terms energy: -68.683098
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -12.172
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: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -105.764465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.764465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.764465 (E_RNA)
where:
Base-Base interactions energy: -42.469
where: short stacking energy: -42.469
Base-Backbone interact. energy: -0.176
local terms energy: -63.118625
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -13.825
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: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -84.535277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.535277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.535277 (E_RNA)
where:
Base-Base interactions energy: -29.901
where: short stacking energy: -28.977
Base-Backbone interact. energy: -0.192
local terms energy: -54.441929
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -8.335
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: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -93.508872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.508872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.508872 (E_RNA)
where:
Base-Base interactions energy: -40.343
where: short stacking energy: -40.343
Base-Backbone interact. energy: -0.085
local terms energy: -53.081119
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -68.045001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.045001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.045001 (E_RNA)
where:
Base-Base interactions energy: -18.408
where: short stacking energy: -18.408
Base-Backbone interact. energy: -0.142
local terms energy: -49.494775
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: 0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -206.688038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.688038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.688038 (E_RNA)
where:
Base-Base interactions energy: -121.736
where: short stacking energy: -71.279
Base-Backbone interact. energy: -0.044
local terms energy: -84.907414
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -187.420376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.420376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.420376 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.009
local terms energy: -75.632635
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -16.089
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: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -196.783262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.783262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.783262 (E_RNA)
where:
Base-Base interactions energy: -117.397
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.221
local terms energy: -79.164974
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -175.223326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.223326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.223326 (E_RNA)
where:
Base-Base interactions energy: -106.262
where: short stacking energy: -54.723
Base-Backbone interact. energy: -0.222
local terms energy: -68.739959
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.251
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: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -158.353806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.353806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.353806 (E_RNA)
where:
Base-Base interactions energy: -89.591
where: short stacking energy: -49.594
Base-Backbone interact. energy: -0.045
local terms energy: -68.718105
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -153.177408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.177408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.177408 (E_RNA)
where:
Base-Base interactions energy: -91.613
where: short stacking energy: -49.109
Base-Backbone interact. energy: -0.025
local terms energy: -61.539187
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -92.925450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925450 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.148
local terms energy: -63.433231
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -7.215
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: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -93.407991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.407991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.407991 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -28.470
Base-Backbone interact. energy: -0.004
local terms energy: -63.575632
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -8.001
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: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -84.833687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.833687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.833687 (E_RNA)
where:
Base-Base interactions energy: -27.691
where: short stacking energy: -27.691
Base-Backbone interact. energy: 0.712
local terms energy: -57.854604
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -85.747412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.747412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.747412 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -28.829
Base-Backbone interact. energy: 0.869
local terms energy: -49.093828
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -0.701
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: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -203.675446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.675446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675446 (E_RNA)
where:
Base-Base interactions energy: -127.702
where: short stacking energy: -73.546
Base-Backbone interact. energy: -0.002
local terms energy: -75.971785
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -181.125670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.125670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.125670 (E_RNA)
where:
Base-Base interactions energy: -101.410
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.023
local terms energy: -79.692192
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -184.322754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322754 (E_RNA)
where:
Base-Base interactions energy: -103.536
where: short stacking energy: -56.331
Base-Backbone interact. energy: 0.304
local terms energy: -81.090647
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.292
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: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -161.934277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.934277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.934277 (E_RNA)
where:
Base-Base interactions energy: -94.856
where: short stacking energy: -52.140
Base-Backbone interact. energy: -0.237
local terms energy: -66.841744
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -161.711435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.711435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.711435 (E_RNA)
where:
Base-Base interactions energy: -98.779
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.047
local terms energy: -62.885544
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -149.108072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.108072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.108072 (E_RNA)
where:
Base-Base interactions energy: -87.707
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.130
local terms energy: -61.271429
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -10.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -98.839262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839262 (E_RNA)
where:
Base-Base interactions energy: -41.220
where: short stacking energy: -29.646
Base-Backbone interact. energy: 0.015
local terms energy: -57.634221
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -3.377
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: 304
Temperature: 1.250000
Total energy: -84.427820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427820 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.015
local terms energy: -51.959912
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: 2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -92.084960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.084960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.084960 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.124
local terms energy: -55.351229
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -6.176
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: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -91.312935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.312935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.312935 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -37.134
Base-Backbone interact. energy: -0.090
local terms energy: -54.088352
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -2.362
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -206.321063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321063 (E_RNA)
where:
Base-Base interactions energy: -125.194
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.001
local terms energy: -81.126452
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -190.774338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.774338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.774338 (E_RNA)
where:
Base-Base interactions energy: -109.968
where: short stacking energy: -65.767
Base-Backbone interact. energy: -0.123
local terms energy: -80.683846
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -18.484
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: 305
Temperature: 1.000000
Total energy: -175.656634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.656634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.656634 (E_RNA)
where:
Base-Base interactions energy: -98.227
where: short stacking energy: -57.291
Base-Backbone interact. energy: -0.090
local terms energy: -77.339420
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.129
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: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -171.443860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.443860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.443860 (E_RNA)
where:
Base-Base interactions energy: -102.714
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.306
local terms energy: -68.424515
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -158.128619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.128619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.128619 (E_RNA)
where:
Base-Base interactions energy: -93.135
where: short stacking energy: -41.683
Base-Backbone interact. energy: -0.120
local terms energy: -64.873088
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.276
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: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -148.001587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.001587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.001587 (E_RNA)
where:
Base-Base interactions energy: -89.468
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.733
local terms energy: -57.800749
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -102.642163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.642163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.642163 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -40.929
Base-Backbone interact. energy: -0.003
local terms energy: -61.709476
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -9.923
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: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -125.070500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.070500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.070500 (E_RNA)
where:
Base-Base interactions energy: -69.167
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.183
local terms energy: -55.720657
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -8.895
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: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -85.218709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.218709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.218709 (E_RNA)
where:
Base-Base interactions energy: -31.854
where: short stacking energy: -32.406
Base-Backbone interact. energy: -0.167
local terms energy: -53.197227
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -71.929925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.929925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.929925 (E_RNA)
where:
Base-Base interactions energy: -19.657
where: short stacking energy: -19.657
Base-Backbone interact. energy: -0.157
local terms energy: -52.115904
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -8.366
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: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -204.345217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345217 (E_RNA)
where:
Base-Base interactions energy: -128.268
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.599
local terms energy: -75.478508
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -191.700391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.700391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.700391 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.033
local terms energy: -74.440474
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -182.651308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651308 (E_RNA)
where:
Base-Base interactions energy: -100.924
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.001
local terms energy: -81.725879
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.037
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: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -162.913503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.913503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.913503 (E_RNA)
where:
Base-Base interactions energy: -96.094
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.326
local terms energy: -66.493407
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -8.753
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: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -177.293750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.293750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.293750 (E_RNA)
where:
Base-Base interactions energy: -105.452
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.097
local terms energy: -71.744997
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -162.211064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.211064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.211064 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.069
local terms energy: -63.591087
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -102.043490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.043490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.043490 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.113
local terms energy: -65.677298
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -10.128
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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -82.719371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.719371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.719371 (E_RNA)
where:
Base-Base interactions energy: -28.250
where: short stacking energy: -22.870
Base-Backbone interact. energy: 1.051
local terms energy: -55.520178
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: 0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -99.327502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.327502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.327502 (E_RNA)
where:
Base-Base interactions energy: -46.817
where: short stacking energy: -44.144
Base-Backbone interact. energy: -0.030
local terms energy: -52.480647
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -88.259157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259157 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -21.031
Base-Backbone interact. energy: -0.117
local terms energy: -57.042316
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -199.975182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975182 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -70.029
Base-Backbone interact. energy: -0.099
local terms energy: -77.606096
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -187.735517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.735517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.735517 (E_RNA)
where:
Base-Base interactions energy: -108.816
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.768
local terms energy: -78.151588
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -193.049367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.049367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.049367 (E_RNA)
where:
Base-Base interactions energy: -122.102
where: short stacking energy: -70.545
Base-Backbone interact. energy: -0.002
local terms energy: -70.945139
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -164.655004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.655004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.655004 (E_RNA)
where:
Base-Base interactions energy: -94.894
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.115
local terms energy: -69.645676
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -166.690913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.690913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.690913 (E_RNA)
where:
Base-Base interactions energy: -99.303
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.690
local terms energy: -66.697828
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -160.377567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.377567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377567 (E_RNA)
where:
Base-Base interactions energy: -97.155
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.028
local terms energy: -63.194894
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -104.215078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.215078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.215078 (E_RNA)
where:
Base-Base interactions energy: -38.347
where: short stacking energy: -38.347
Base-Backbone interact. energy: -0.227
local terms energy: -65.640937
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -94.715846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.715846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.715846 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.120
local terms energy: -58.426938
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -80.388532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.388532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.388532 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -27.830
Base-Backbone interact. energy: 0.846
local terms energy: -53.404492
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -3.991
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -90.941131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.941131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.941131 (E_RNA)
where:
Base-Base interactions energy: -35.207
where: short stacking energy: -35.207
Base-Backbone interact. energy: -0.269
local terms energy: -55.465246
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -189.135637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.135637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.135637 (E_RNA)
where:
Base-Base interactions energy: -114.880
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.004
local terms energy: -74.251081
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -206.530179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.530179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.530179 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.206
local terms energy: -75.871514
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -168.269205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.269205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.269205 (E_RNA)
where:
Base-Base interactions energy: -96.778
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.283
local terms energy: -71.207651
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -13.040
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: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -169.710051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.710051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.710051 (E_RNA)
where:
Base-Base interactions energy: -101.288
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.389
local terms energy: -68.033021
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -162.891818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.891818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.891818 (E_RNA)
where:
Base-Base interactions energy: -94.491
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.003
local terms energy: -68.397661
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -163.406760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.406760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.406760 (E_RNA)
where:
Base-Base interactions energy: -100.676
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.192
local terms energy: -62.538865
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -92.630673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.630673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.630673 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -39.180
Base-Backbone interact. energy: 1.628
local terms energy: -55.079282
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -88.724094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.724094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.724094 (E_RNA)
where:
Base-Base interactions energy: -41.041
where: short stacking energy: -34.939
Base-Backbone interact. energy: -0.490
local terms energy: -47.193883
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: 0.292
tors. eta vs tors. theta energy: -5.764
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -94.265110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265110 (E_RNA)
where:
Base-Base interactions energy: -52.980
where: short stacking energy: -33.415
Base-Backbone interact. energy: -0.147
local terms energy: -41.137801
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -8.603
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: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -76.207451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.207451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.207451 (E_RNA)
where:
Base-Base interactions energy: -31.449
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.437
local terms energy: -44.321441
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -191.247954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.247954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.247954 (E_RNA)
where:
Base-Base interactions energy: -121.429
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.055
local terms energy: -69.764424
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -201.220232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.220232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.220232 (E_RNA)
where:
Base-Base interactions energy: -130.794
where: short stacking energy: -70.022
Base-Backbone interact. energy: -0.065
local terms energy: -70.361738
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -184.287532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.287532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.287532 (E_RNA)
where:
Base-Base interactions energy: -107.748
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.342
local terms energy: -76.197759
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -187.051248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.051248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.051248 (E_RNA)
where:
Base-Base interactions energy: -113.074
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.325
local terms energy: -73.652409
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -163.971906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.971906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.971906 (E_RNA)
where:
Base-Base interactions energy: -95.642
where: short stacking energy: -51.581
Base-Backbone interact. energy: -0.020
local terms energy: -68.309711
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.890
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: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -172.962452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.962452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.962452 (E_RNA)
where:
Base-Base interactions energy: -100.144
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.082
local terms energy: -72.736864
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -97.421426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.421426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.421426 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.193
local terms energy: -60.093201
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -8.443
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: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -128.864115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.864115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.864115 (E_RNA)
where:
Base-Base interactions energy: -65.893
where: short stacking energy: -35.227
Base-Backbone interact. energy: 0.086
local terms energy: -63.057406
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.099
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: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -85.001733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001733 (E_RNA)
where:
Base-Base interactions energy: -28.119
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.228
local terms energy: -56.654784
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -4.501
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: 309
Temperature: 1.350000
Total energy: -83.902764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902764 (E_RNA)
where:
Base-Base interactions energy: -32.382
where: short stacking energy: -31.624
Base-Backbone interact. energy: -0.072
local terms energy: -51.449510
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -5.967
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: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -200.122833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.122833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.122833 (E_RNA)
where:
Base-Base interactions energy: -131.250
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.137
local terms energy: -68.735968
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -185.018356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.018356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.018356 (E_RNA)
where:
Base-Base interactions energy: -109.384
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.384
local terms energy: -75.250178
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -180.651674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.651674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.651674 (E_RNA)
where:
Base-Base interactions energy: -100.429
where: short stacking energy: -50.647
Base-Backbone interact. energy: -0.549
local terms energy: -79.673364
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -13.036
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: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -177.166434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.166434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.166434 (E_RNA)
where:
Base-Base interactions energy: -105.476
where: short stacking energy: -56.365
Base-Backbone interact. energy: -0.218
local terms energy: -71.471762
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -12.489
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -173.224856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.224856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.224856 (E_RNA)
where:
Base-Base interactions energy: -103.822
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.547
local terms energy: -68.856163
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.094
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: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -154.070630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.070630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.070630 (E_RNA)
where:
Base-Base interactions energy: -86.670
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.007
local terms energy: -67.394516
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -119.215509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.215509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.215509 (E_RNA)
where:
Base-Base interactions energy: -70.063
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.727
local terms energy: -48.424640
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 0.627
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: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -89.691271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.691271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.691271 (E_RNA)
where:
Base-Base interactions energy: -38.685
where: short stacking energy: -38.685
Base-Backbone interact. energy: -0.106
local terms energy: -50.900303
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -84.977929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.977929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.977929 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -36.511
Base-Backbone interact. energy: 0.276
local terms energy: -48.743028
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -5.055
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -77.303950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.303950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.303950 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.193
local terms energy: -53.631808
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -211.663482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.663482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.663482 (E_RNA)
where:
Base-Base interactions energy: -129.153
where: short stacking energy: -74.455
Base-Backbone interact. energy: -0.117
local terms energy: -82.393409
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -190.276341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.276341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.276341 (E_RNA)
where:
Base-Base interactions energy: -111.829
where: short stacking energy: -66.859
Base-Backbone interact. energy: 0.488
local terms energy: -78.935489
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -168.050865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.050865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.050865 (E_RNA)
where:
Base-Base interactions energy: -93.874
where: short stacking energy: -53.815
Base-Backbone interact. energy: -1.366
local terms energy: -72.810396
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -10.206
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: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -185.524214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.524214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.524214 (E_RNA)
where:
Base-Base interactions energy: -113.502
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.010
local terms energy: -72.012006
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -141.381944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.381944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.381944 (E_RNA)
where:
Base-Base interactions energy: -78.575
where: short stacking energy: -41.184
Base-Backbone interact. energy: -0.919
local terms energy: -61.887350
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -154.244927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.244927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.244927 (E_RNA)
where:
Base-Base interactions energy: -94.646
where: short stacking energy: -50.659
Base-Backbone interact. energy: -1.243
local terms energy: -58.355676
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -101.997920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.997920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.997920 (E_RNA)
where:
Base-Base interactions energy: -47.021
where: short stacking energy: -30.228
Base-Backbone interact. energy: -0.296
local terms energy: -54.681379
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -84.024174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024174 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -27.567
Base-Backbone interact. energy: -0.004
local terms energy: -56.454105
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -92.072014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.072014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.072014 (E_RNA)
where:
Base-Base interactions energy: -36.907
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.005
local terms energy: -55.160139
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -83.261708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.261708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.261708 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -33.660
Base-Backbone interact. energy: 1.303
local terms energy: -50.904317
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -8.840
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: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -189.876173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.876173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.876173 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.100
local terms energy: -78.543331
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -205.351477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.351477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.351477 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.139
local terms energy: -80.004448
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -20.077
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: 312
Temperature: 1.000000
Total energy: -177.670996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.670996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.670996 (E_RNA)
where:
Base-Base interactions energy: -104.066
where: short stacking energy: -56.434
Base-Backbone interact. energy: 1.515
local terms energy: -75.120418
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -166.124886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.124886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.124886 (E_RNA)
where:
Base-Base interactions energy: -98.978
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.195
local terms energy: -66.951159
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -13.932
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: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -147.097883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.097883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.097883 (E_RNA)
where:
Base-Base interactions energy: -85.359
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.093
local terms energy: -61.645637
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -145.993733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.993733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.993733 (E_RNA)
where:
Base-Base interactions energy: -87.986
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.201
local terms energy: -57.805835
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -89.663937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663937 (E_RNA)
where:
Base-Base interactions energy: -35.292
where: short stacking energy: -35.535
Base-Backbone interact. energy: -0.299
local terms energy: -54.073266
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -88.078562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.078562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.078562 (E_RNA)
where:
Base-Base interactions energy: -30.207
where: short stacking energy: -30.207
Base-Backbone interact. energy: -0.223
local terms energy: -57.649058
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -84.069328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.069328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.069328 (E_RNA)
where:
Base-Base interactions energy: -25.386
where: short stacking energy: -25.386
Base-Backbone interact. energy: -0.145
local terms energy: -58.538064
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -74.481588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.481588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.481588 (E_RNA)
where:
Base-Base interactions energy: -27.493
where: short stacking energy: -27.493
Base-Backbone interact. energy: 0.394
local terms energy: -47.382032
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -183.973985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973985 (E_RNA)
where:
Base-Base interactions energy: -109.864
where: short stacking energy: -65.409
Base-Backbone interact. energy: 0.077
local terms energy: -74.187900
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -189.972661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.972661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.972661 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -63.097
Base-Backbone interact. energy: -0.099
local terms energy: -74.213468
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -182.862063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862063 (E_RNA)
where:
Base-Base interactions energy: -109.799
where: short stacking energy: -61.165
Base-Backbone interact. energy: -0.235
local terms energy: -72.827465
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -161.261846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.261846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.261846 (E_RNA)
where:
Base-Base interactions energy: -93.634
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.206
local terms energy: -67.421380
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -144.449963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.449963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.449963 (E_RNA)
where:
Base-Base interactions energy: -77.124
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.149
local terms energy: -67.177496
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -108.793176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.793176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.793176 (E_RNA)
where:
Base-Base interactions energy: -50.350
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.224
local terms energy: -58.219132
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -165.812698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.812698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.812698 (E_RNA)
where:
Base-Base interactions energy: -105.809
where: short stacking energy: -54.841
Base-Backbone interact. energy: 0.554
local terms energy: -60.557969
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -12.693
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: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -87.251779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.251779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.251779 (E_RNA)
where:
Base-Base interactions energy: -31.009
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.160
local terms energy: -56.082618
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -94.385637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.385637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.385637 (E_RNA)
where:
Base-Base interactions energy: -38.716
where: short stacking energy: -38.716
Base-Backbone interact. energy: -0.067
local terms energy: -55.602315
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -4.273
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: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -86.358661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.358661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.358661 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -29.098
Base-Backbone interact. energy: -0.751
local terms energy: -47.152561
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -3.063
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: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -206.486587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486587 (E_RNA)
where:
Base-Base interactions energy: -126.100
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.858
local terms energy: -79.528843
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -189.080228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.080228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.080228 (E_RNA)
where:
Base-Base interactions energy: -113.355
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.105
local terms energy: -75.619844
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -190.060110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.060110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.060110 (E_RNA)
where:
Base-Base interactions energy: -117.884
where: short stacking energy: -65.203
Base-Backbone interact. energy: -0.170
local terms energy: -72.006472
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -166.412347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.412347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.412347 (E_RNA)
where:
Base-Base interactions energy: -94.711
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.166
local terms energy: -71.534745
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.023
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: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -143.655206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.655206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.655206 (E_RNA)
where:
Base-Base interactions energy: -82.502
where: short stacking energy: -42.753
Base-Backbone interact. energy: -0.477
local terms energy: -60.676784
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -97.342674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.342674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.342674 (E_RNA)
where:
Base-Base interactions energy: -40.265
where: short stacking energy: -29.961
Base-Backbone interact. energy: 0.001
local terms energy: -57.078992
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -151.749166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.749166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.749166 (E_RNA)
where:
Base-Base interactions energy: -92.163
where: short stacking energy: -39.738
Base-Backbone interact. energy: -1.210
local terms energy: -58.376405
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -106.622568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.622568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.622568 (E_RNA)
where:
Base-Base interactions energy: -53.106
where: short stacking energy: -35.836
Base-Backbone interact. energy: 1.860
local terms energy: -55.376762
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -87.276362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276362 (E_RNA)
where:
Base-Base interactions energy: -24.765
where: short stacking energy: -24.765
Base-Backbone interact. energy: -1.300
local terms energy: -61.211360
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -85.802137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.802137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.802137 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.134
local terms energy: -51.648134
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -212.548084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.548084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.548084 (E_RNA)
where:
Base-Base interactions energy: -127.318
where: short stacking energy: -79.447
Base-Backbone interact. energy: -0.691
local terms energy: -84.539894
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -22.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -199.085059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.085059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.085059 (E_RNA)
where:
Base-Base interactions energy: -125.453
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.234
local terms energy: -73.397810
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -6.529
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: 315
Temperature: 1.000000
Total energy: -192.656458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.656458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.656458 (E_RNA)
where:
Base-Base interactions energy: -118.009
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.049
local terms energy: -74.598695
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -19.218
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: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -162.997768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.997768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.997768 (E_RNA)
where:
Base-Base interactions energy: -94.043
where: short stacking energy: -53.755
Base-Backbone interact. energy: 0.074
local terms energy: -69.027894
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -160.351596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.351596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.351596 (E_RNA)
where:
Base-Base interactions energy: -98.792
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.005
local terms energy: -61.554248
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -145.106685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.106685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.106685 (E_RNA)
where:
Base-Base interactions energy: -83.897
where: short stacking energy: -48.429
Base-Backbone interact. energy: -0.095
local terms energy: -61.114520
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -92.901609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.901609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.901609 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -23.326
Base-Backbone interact. energy: -0.766
local terms energy: -60.499229
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -98.840850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.840850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.840850 (E_RNA)
where:
Base-Base interactions energy: -44.835
where: short stacking energy: -44.835
Base-Backbone interact. energy: -0.088
local terms energy: -53.917448
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -89.421901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.421901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.421901 (E_RNA)
where:
Base-Base interactions energy: -37.935
where: short stacking energy: -37.935
Base-Backbone interact. energy: -0.165
local terms energy: -51.321416
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -8.664
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -80.115115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.115115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.115115 (E_RNA)
where:
Base-Base interactions energy: -31.362
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.149
local terms energy: -48.604209
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -202.927267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.927267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.927267 (E_RNA)
where:
Base-Base interactions energy: -119.009
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.122
local terms energy: -83.795802
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -210.922501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.922501 (E_RNA)
where:
Base-Base interactions energy: -137.778
where: short stacking energy: -79.649
Base-Backbone interact. energy: -0.173
local terms energy: -72.970997
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -4.955
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: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -185.051900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.051900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.051900 (E_RNA)
where:
Base-Base interactions energy: -106.925
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.160
local terms energy: -77.966252
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -183.733292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.733292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.733292 (E_RNA)
where:
Base-Base interactions energy: -103.688
where: short stacking energy: -62.716
Base-Backbone interact. energy: 0.035
local terms energy: -80.079830
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -168.390674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390674 (E_RNA)
where:
Base-Base interactions energy: -103.047
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.111
local terms energy: -65.232673
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -16.346
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: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -152.992955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.992955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.992955 (E_RNA)
where:
Base-Base interactions energy: -92.216
where: short stacking energy: -47.628
Base-Backbone interact. energy: -0.719
local terms energy: -60.058655
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -110.268608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.268608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.268608 (E_RNA)
where:
Base-Base interactions energy: -48.120
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.125
local terms energy: -62.022736
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -96.704929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.704929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.704929 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -31.165
Base-Backbone interact. energy: -0.103
local terms energy: -62.598870
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -88.682319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.682319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.682319 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -33.572
Base-Backbone interact. energy: -0.120
local terms energy: -54.990038
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -5.651
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -91.893650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893650 (E_RNA)
where:
Base-Base interactions energy: -39.791
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.111
local terms energy: -51.991563
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -195.962409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.962409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.962409 (E_RNA)
where:
Base-Base interactions energy: -122.595
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.182
local terms energy: -73.186003
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -194.546424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546424 (E_RNA)
where:
Base-Base interactions energy: -119.044
where: short stacking energy: -70.526
Base-Backbone interact. energy: -0.001
local terms energy: -75.500667
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.507
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: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -184.029367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.029367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.029367 (E_RNA)
where:
Base-Base interactions energy: -106.107
where: short stacking energy: -64.107
Base-Backbone interact. energy: -0.003
local terms energy: -77.919561
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -17.896
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -155.865914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.865914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.865914 (E_RNA)
where:
Base-Base interactions energy: -83.402
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.224
local terms energy: -72.239673
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -153.254929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.254929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.254929 (E_RNA)
where:
Base-Base interactions energy: -93.160
where: short stacking energy: -49.195
Base-Backbone interact. energy: -0.142
local terms energy: -59.953384
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -144.439524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.439524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.439524 (E_RNA)
where:
Base-Base interactions energy: -88.197
where: short stacking energy: -41.871
Base-Backbone interact. energy: -0.141
local terms energy: -56.101336
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -96.620003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620003 (E_RNA)
where:
Base-Base interactions energy: -39.453
where: short stacking energy: -34.413
Base-Backbone interact. energy: 1.192
local terms energy: -58.359017
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -102.535120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.535120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.535120 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -38.973
Base-Backbone interact. energy: -0.319
local terms energy: -62.758876
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -89.005161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.005161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.005161 (E_RNA)
where:
Base-Base interactions energy: -31.075
where: short stacking energy: -31.075
Base-Backbone interact. energy: -0.181
local terms energy: -57.749003
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -89.380008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.380008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.380008 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.269
local terms energy: -59.750226
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -198.357282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.357282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.357282 (E_RNA)
where:
Base-Base interactions energy: -117.978
where: short stacking energy: -68.081
Base-Backbone interact. energy: -0.063
local terms energy: -80.316210
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -188.964665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964665 (E_RNA)
where:
Base-Base interactions energy: -113.820
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.003
local terms energy: -75.140872
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -171.756423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.756423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.756423 (E_RNA)
where:
Base-Base interactions energy: -95.944
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.023
local terms energy: -75.789950
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -192.681328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.681328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.681328 (E_RNA)
where:
Base-Base interactions energy: -119.090
where: short stacking energy: -63.893
Base-Backbone interact. energy: 0.416
local terms energy: -74.007077
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -157.658405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.658405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.658405 (E_RNA)
where:
Base-Base interactions energy: -91.626
where: short stacking energy: -57.530
Base-Backbone interact. energy: -0.070
local terms energy: -65.962820
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -13.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -147.221405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.221405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.221405 (E_RNA)
where:
Base-Base interactions energy: -93.432
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.017
local terms energy: -53.773096
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -82.136280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136280 (E_RNA)
where:
Base-Base interactions energy: -31.768
where: short stacking energy: -31.768
Base-Backbone interact. energy: 0.445
local terms energy: -50.813994
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -94.943972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.943972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.943972 (E_RNA)
where:
Base-Base interactions energy: -34.169
where: short stacking energy: -29.012
Base-Backbone interact. energy: -0.255
local terms energy: -60.519688
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.425
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: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -91.324495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.324495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.324495 (E_RNA)
where:
Base-Base interactions energy: -36.026
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.097
local terms energy: -55.201367
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -3.758
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: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.860156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.860156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.860156 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -29.216
Base-Backbone interact. energy: 1.694
local terms energy: -51.542564
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -204.894843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.894843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.894843 (E_RNA)
where:
Base-Base interactions energy: -123.061
where: short stacking energy: -74.560
Base-Backbone interact. energy: -0.208
local terms energy: -81.626294
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -205.627293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.627293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.627293 (E_RNA)
where:
Base-Base interactions energy: -119.041
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.007
local terms energy: -86.579472
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -178.817978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.817978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.817978 (E_RNA)
where:
Base-Base interactions energy: -110.128
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.169
local terms energy: -68.521418
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -188.356134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.356134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.356134 (E_RNA)
where:
Base-Base interactions energy: -116.352
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.256
local terms energy: -71.748113
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -153.120686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.120686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.120686 (E_RNA)
where:
Base-Base interactions energy: -78.627
where: short stacking energy: -43.036
Base-Backbone interact. energy: -0.824
local terms energy: -73.669254
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -98.230254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.230254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.230254 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.092
local terms energy: -61.541512
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -7.566
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: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -136.125201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.125201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.125201 (E_RNA)
where:
Base-Base interactions energy: -76.782
where: short stacking energy: -33.526
Base-Backbone interact. energy: -0.552
local terms energy: -58.790778
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -99.326119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.326119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.326119 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -39.593
Base-Backbone interact. energy: -0.106
local terms energy: -56.641120
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -86.030534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030534 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.218
local terms energy: -45.022039
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -6.219
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: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -96.075914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.075914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.075914 (E_RNA)
where:
Base-Base interactions energy: -35.178
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.226
local terms energy: -60.671740
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -203.134476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.134476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.134476 (E_RNA)
where:
Base-Base interactions energy: -122.883
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.029
local terms energy: -80.222769
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -189.606649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.606649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.606649 (E_RNA)
where:
Base-Base interactions energy: -108.478
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.255
local terms energy: -80.873986
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -196.273900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.273900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.273900 (E_RNA)
where:
Base-Base interactions energy: -119.640
where: short stacking energy: -70.659
Base-Backbone interact. energy: -0.115
local terms energy: -76.519711
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -171.167820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.167820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.167820 (E_RNA)
where:
Base-Base interactions energy: -99.755
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.113
local terms energy: -71.300168
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -114.016876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.016876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.016876 (E_RNA)
where:
Base-Base interactions energy: -45.024
where: short stacking energy: -45.024
Base-Backbone interact. energy: -0.001
local terms energy: -68.992445
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -14.299
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: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -146.284308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.284308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.284308 (E_RNA)
where:
Base-Base interactions energy: -90.787
where: short stacking energy: -50.265
Base-Backbone interact. energy: -0.102
local terms energy: -55.395856
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -91.573442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.573442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.573442 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -24.890
Base-Backbone interact. energy: -0.185
local terms energy: -53.537347
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -131.813518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.813518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.813518 (E_RNA)
where:
Base-Base interactions energy: -78.353
where: short stacking energy: -31.339
Base-Backbone interact. energy: -0.571
local terms energy: -52.889605
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -92.174742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.174742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.174742 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -36.681
Base-Backbone interact. energy: -0.125
local terms energy: -49.832982
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -6.478
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: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -95.894617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.894617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.894617 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.310
local terms energy: -50.821817
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -3.169
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -193.975146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.975146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.975146 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.048
local terms energy: -77.042419
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -201.894217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.894217 (E_RNA)
where:
Base-Base interactions energy: -123.276
where: short stacking energy: -75.143
Base-Backbone interact. energy: 0.297
local terms energy: -78.915430
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -8.947
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: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -185.525108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.525108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.525108 (E_RNA)
where:
Base-Base interactions energy: -107.661
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.020
local terms energy: -77.844282
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -178.621544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.621544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.621544 (E_RNA)
where:
Base-Base interactions energy: -107.977
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.115
local terms energy: -70.529557
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -130.961801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.961801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.961801 (E_RNA)
where:
Base-Base interactions energy: -74.893
where: short stacking energy: -52.328
Base-Backbone interact. energy: -0.057
local terms energy: -56.011299
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -0.100
tors. eta vs tors. theta energy: -11.265
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: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -154.878142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.878142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.878142 (E_RNA)
where:
Base-Base interactions energy: -87.815
where: short stacking energy: -49.041
Base-Backbone interact. energy: -0.046
local terms energy: -67.017387
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -98.430767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.430767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.430767 (E_RNA)
where:
Base-Base interactions energy: -40.082
where: short stacking energy: -40.082
Base-Backbone interact. energy: -0.132
local terms energy: -58.217039
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -8.569
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: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -89.192002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.192002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.192002 (E_RNA)
where:
Base-Base interactions energy: -35.086
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.105
local terms energy: -54.000883
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -2.269
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: 321
Temperature: 1.300000
Total energy: -134.994580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.994580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.994580 (E_RNA)
where:
Base-Base interactions energy: -73.331
where: short stacking energy: -32.587
Base-Backbone interact. energy: -0.385
local terms energy: -61.278053
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -83.136459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136459 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.509
local terms energy: -48.384002
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -218.651164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.651164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.651164 (E_RNA)
where:
Base-Base interactions energy: -131.889
where: short stacking energy: -79.385
Base-Backbone interact. energy: -0.004
local terms energy: -86.759085
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -23.499
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: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -186.002807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.002807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.002807 (E_RNA)
where:
Base-Base interactions energy: -109.814
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.467
local terms energy: -75.721489
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -16.598
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: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -175.962431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.962431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.962431 (E_RNA)
where:
Base-Base interactions energy: -108.217
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.002
local terms energy: -67.744022
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -176.118156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.118156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.118156 (E_RNA)
where:
Base-Base interactions energy: -101.428
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.079
local terms energy: -74.611062
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -15.886
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: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -155.352887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.352887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.352887 (E_RNA)
where:
Base-Base interactions energy: -91.588
where: short stacking energy: -53.475
Base-Backbone interact. energy: -0.554
local terms energy: -63.211435
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -14.930
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: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -123.834422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.834422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.834422 (E_RNA)
where:
Base-Base interactions energy: -71.654
where: short stacking energy: -35.728
Base-Backbone interact. energy: 0.279
local terms energy: -52.459841
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -9.839
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: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -115.416722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.416722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.416722 (E_RNA)
where:
Base-Base interactions energy: -45.398
where: short stacking energy: -43.642
Base-Backbone interact. energy: -0.346
local terms energy: -69.672400
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -96.166585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166585 (E_RNA)
where:
Base-Base interactions energy: -39.477
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.027
local terms energy: -56.663100
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -127.348017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.348017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.348017 (E_RNA)
where:
Base-Base interactions energy: -75.437
where: short stacking energy: -35.853
Base-Backbone interact. energy: -0.020
local terms energy: -51.890763
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -9.760
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: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -74.650298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.650298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.650298 (E_RNA)
where:
Base-Base interactions energy: -30.494
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.974
local terms energy: -43.182502
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.780
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -213.221919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.221919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.221919 (E_RNA)
where:
Base-Base interactions energy: -126.193
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.001
local terms energy: -87.028343
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -181.347434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.347434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.347434 (E_RNA)
where:
Base-Base interactions energy: -113.652
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.154
local terms energy: -67.541847
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.703
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: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -170.317149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.317149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.317149 (E_RNA)
where:
Base-Base interactions energy: -106.309
where: short stacking energy: -61.762
Base-Backbone interact. energy: -0.045
local terms energy: -63.963312
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -180.847670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.847670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.847670 (E_RNA)
where:
Base-Base interactions energy: -104.555
where: short stacking energy: -63.995
Base-Backbone interact. energy: -1.054
local terms energy: -75.238236
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -155.070833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.070833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.070833 (E_RNA)
where:
Base-Base interactions energy: -94.637
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.109
local terms energy: -60.325272
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -9.660
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: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -143.952813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.952813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.952813 (E_RNA)
where:
Base-Base interactions energy: -78.429
where: short stacking energy: -49.596
Base-Backbone interact. energy: -0.153
local terms energy: -65.371030
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -93.897110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.897110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.897110 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.099
local terms energy: -56.626973
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -127.129389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.129389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.129389 (E_RNA)
where:
Base-Base interactions energy: -72.506
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.079
local terms energy: -54.544226
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -80.147560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.147560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.147560 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -36.928
Base-Backbone interact. energy: -0.026
local terms energy: -43.194030
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -6.711
flat angles P-C4'-P energy: 4.557
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -82.401208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.401208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.401208 (E_RNA)
where:
Base-Base interactions energy: -24.726
where: short stacking energy: -24.638
Base-Backbone interact. energy: -0.048
local terms energy: -57.627144
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -6.907
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: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -207.984820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.984820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.984820 (E_RNA)
where:
Base-Base interactions energy: -132.472
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.762
local terms energy: -74.750025
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -195.809151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.809151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.809151 (E_RNA)
where:
Base-Base interactions energy: -117.176
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.092
local terms energy: -78.541266
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -172.532761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.532761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.532761 (E_RNA)
where:
Base-Base interactions energy: -102.671
where: short stacking energy: -60.296
Base-Backbone interact. energy: 0.208
local terms energy: -70.069489
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -165.329260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.329260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.329260 (E_RNA)
where:
Base-Base interactions energy: -101.439
where: short stacking energy: -55.600
Base-Backbone interact. energy: 0.141
local terms energy: -64.031313
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -9.559
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: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -171.753209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.753209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.753209 (E_RNA)
where:
Base-Base interactions energy: -99.046
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.083
local terms energy: -72.623969
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -135.019462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.019462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.019462 (E_RNA)
where:
Base-Base interactions energy: -69.404
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.125
local terms energy: -65.490214
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -8.894
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: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -124.862413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.862413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.862413 (E_RNA)
where:
Base-Base interactions energy: -69.578
where: short stacking energy: -39.527
Base-Backbone interact. energy: -0.091
local terms energy: -55.194076
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -85.702876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.702876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.702876 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.295
local terms energy: -47.535218
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -11.621
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: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -89.548444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.548444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.548444 (E_RNA)
where:
Base-Base interactions energy: -34.745
where: short stacking energy: -20.457
Base-Backbone interact. energy: -0.139
local terms energy: -54.664881
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -85.014996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.014996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.014996 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.285
local terms energy: -50.321509
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -0.429
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: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -199.127216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.127216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.127216 (E_RNA)
where:
Base-Base interactions energy: -124.345
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.069
local terms energy: -74.713659
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -193.432522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.432522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.432522 (E_RNA)
where:
Base-Base interactions energy: -111.469
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.004
local terms energy: -81.960003
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -19.343
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: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -204.709929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.709929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.709929 (E_RNA)
where:
Base-Base interactions energy: -123.543
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.010
local terms energy: -81.157399
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -22.883
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: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -175.369701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.369701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.369701 (E_RNA)
where:
Base-Base interactions energy: -120.324
where: short stacking energy: -61.087
Base-Backbone interact. energy: 0.504
local terms energy: -55.549622
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -9.530
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -159.005057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.005057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.005057 (E_RNA)
where:
Base-Base interactions energy: -92.029
where: short stacking energy: -51.022
Base-Backbone interact. energy: -0.022
local terms energy: -66.954208
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -139.685631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.685631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.685631 (E_RNA)
where:
Base-Base interactions energy: -78.232
where: short stacking energy: -47.391
Base-Backbone interact. energy: -0.095
local terms energy: -61.357826
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -11.647
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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -144.425836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.425836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.425836 (E_RNA)
where:
Base-Base interactions energy: -87.483
where: short stacking energy: -57.050
Base-Backbone interact. energy: -0.065
local terms energy: -56.877626
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: 1.746
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -92.843872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.843872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.843872 (E_RNA)
where:
Base-Base interactions energy: -40.554
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.065
local terms energy: -52.225278
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -81.292327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.292327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.292327 (E_RNA)
where:
Base-Base interactions energy: -33.476
where: short stacking energy: -33.476
Base-Backbone interact. energy: -0.201
local terms energy: -47.615482
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -2.489
tors. eta vs tors. theta energy: -1.712
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: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -81.785231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.785231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.785231 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -17.098
Base-Backbone interact. energy: -1.149
local terms energy: -57.175959
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -202.566182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.566182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.566182 (E_RNA)
where:
Base-Base interactions energy: -125.384
where: short stacking energy: -77.604
Base-Backbone interact. energy: -0.826
local terms energy: -76.356617
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -206.853202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.853202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.853202 (E_RNA)
where:
Base-Base interactions energy: -124.428
where: short stacking energy: -72.971
Base-Backbone interact. energy: -0.021
local terms energy: -82.404348
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.931
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: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -184.231815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.231815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.231815 (E_RNA)
where:
Base-Base interactions energy: -114.901
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.001
local terms energy: -69.329568
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -8.708
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: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -179.473837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.473837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.473837 (E_RNA)
where:
Base-Base interactions energy: -110.544
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.544
local terms energy: -68.385832
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -169.533186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.533186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.533186 (E_RNA)
where:
Base-Base interactions energy: -106.622
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.079
local terms energy: -62.832289
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -139.061503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.061503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.061503 (E_RNA)
where:
Base-Base interactions energy: -81.584
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.149
local terms energy: -57.327744
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.049
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: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -132.881606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.881606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.881606 (E_RNA)
where:
Base-Base interactions energy: -77.838
where: short stacking energy: -45.012
Base-Backbone interact. energy: -0.164
local terms energy: -54.879793
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -2.633
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -86.767329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767329 (E_RNA)
where:
Base-Base interactions energy: -34.308
where: short stacking energy: -34.308
Base-Backbone interact. energy: -0.025
local terms energy: -52.433717
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -88.821930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821930 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -28.828
Base-Backbone interact. energy: -0.562
local terms energy: -57.027922
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -83.297346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297346 (E_RNA)
where:
Base-Base interactions energy: -29.962
where: short stacking energy: -30.162
Base-Backbone interact. energy: -0.421
local terms energy: -52.914700
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -4.859
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: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -209.571711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571711 (E_RNA)
where:
Base-Base interactions energy: -123.757
where: short stacking energy: -82.478
Base-Backbone interact. energy: -0.020
local terms energy: -85.794704
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -180.255599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.255599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.255599 (E_RNA)
where:
Base-Base interactions energy: -102.513
where: short stacking energy: -52.016
Base-Backbone interact. energy: -0.302
local terms energy: -77.441115
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -208.323443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.323443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.323443 (E_RNA)
where:
Base-Base interactions energy: -125.667
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.140
local terms energy: -82.516675
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -167.741752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.741752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.741752 (E_RNA)
where:
Base-Base interactions energy: -96.359
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.078
local terms energy: -71.305011
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -166.447072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.447072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.447072 (E_RNA)
where:
Base-Base interactions energy: -93.643
where: short stacking energy: -49.653
Base-Backbone interact. energy: -0.664
local terms energy: -72.139465
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -13.104
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: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -140.559880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.559880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.559880 (E_RNA)
where:
Base-Base interactions energy: -76.300
where: short stacking energy: -39.853
Base-Backbone interact. energy: -0.315
local terms energy: -63.944781
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -153.471045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.471045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.471045 (E_RNA)
where:
Base-Base interactions energy: -95.651
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.748
local terms energy: -57.072432
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -86.467058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.467058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.467058 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -35.126
Base-Backbone interact. energy: -0.050
local terms energy: -51.291387
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -82.149772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.149772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.149772 (E_RNA)
where:
Base-Base interactions energy: -26.639
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.268
local terms energy: -55.243271
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -82.805419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.805419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.805419 (E_RNA)
where:
Base-Base interactions energy: -28.958
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.105
local terms energy: -53.742209
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -202.512436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.512436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.512436 (E_RNA)
where:
Base-Base interactions energy: -117.924
where: short stacking energy: -75.558
Base-Backbone interact. energy: -0.238
local terms energy: -84.349746
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -22.159
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: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -178.605807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.605807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.605807 (E_RNA)
where:
Base-Base interactions energy: -107.489
where: short stacking energy: -61.146
Base-Backbone interact. energy: -0.040
local terms energy: -71.076714
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -16.586
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: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -204.289882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.289882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.289882 (E_RNA)
where:
Base-Base interactions energy: -125.401
where: short stacking energy: -74.280
Base-Backbone interact. energy: -0.009
local terms energy: -78.879713
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -6.772
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: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -171.072885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.072885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.072885 (E_RNA)
where:
Base-Base interactions energy: -104.586
where: short stacking energy: -44.997
Base-Backbone interact. energy: -0.122
local terms energy: -66.365495
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.227
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: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -172.770731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.770731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.770731 (E_RNA)
where:
Base-Base interactions energy: -98.478
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.540
local terms energy: -73.752943
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -105.013593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.013593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.013593 (E_RNA)
where:
Base-Base interactions energy: -44.479
where: short stacking energy: -24.075
Base-Backbone interact. energy: -0.164
local terms energy: -60.370528
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -9.249
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: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -135.717475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.717475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.717475 (E_RNA)
where:
Base-Base interactions energy: -73.651
where: short stacking energy: -44.654
Base-Backbone interact. energy: 1.704
local terms energy: -63.770639
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -130.341271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.341271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.341271 (E_RNA)
where:
Base-Base interactions energy: -84.358
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.064
local terms energy: -45.918988
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -89.068118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.068118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.068118 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -26.217
Base-Backbone interact. energy: 0.197
local terms energy: -58.648735
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -88.114975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.114975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.114975 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -26.537
Base-Backbone interact. energy: -0.332
local terms energy: -58.260006
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -197.445566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.445566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.445566 (E_RNA)
where:
Base-Base interactions energy: -117.718
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.188
local terms energy: -79.539727
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -17.867
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -214.107977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.107977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.107977 (E_RNA)
where:
Base-Base interactions energy: -133.839
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.001
local terms energy: -80.267764
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -180.275405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.275405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.275405 (E_RNA)
where:
Base-Base interactions energy: -110.012
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.006
local terms energy: -70.257309
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.873
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: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -181.503449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.503449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.503449 (E_RNA)
where:
Base-Base interactions energy: -113.601
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.062
local terms energy: -67.840435
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -162.347388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.347388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.347388 (E_RNA)
where:
Base-Base interactions energy: -90.059
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.002
local terms energy: -72.286474
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -157.973384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.973384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.973384 (E_RNA)
where:
Base-Base interactions energy: -85.530
where: short stacking energy: -54.479
Base-Backbone interact. energy: -0.022
local terms energy: -72.421773
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -87.731763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731763 (E_RNA)
where:
Base-Base interactions energy: -36.539
where: short stacking energy: -36.539
Base-Backbone interact. energy: -0.038
local terms energy: -51.154585
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -102.273107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.273107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.273107 (E_RNA)
where:
Base-Base interactions energy: -44.060
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.167
local terms energy: -58.045865
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -10.304
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: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -135.044440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.044440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.044440 (E_RNA)
where:
Base-Base interactions energy: -89.649
where: short stacking energy: -40.664
Base-Backbone interact. energy: 0.557
local terms energy: -45.953098
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -5.427
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: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -79.630839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.630839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.630839 (E_RNA)
where:
Base-Base interactions energy: -35.522
where: short stacking energy: -28.206
Base-Backbone interact. energy: 0.120
local terms energy: -44.229687
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: 1.387
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: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -212.559523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.559523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.559523 (E_RNA)
where:
Base-Base interactions energy: -128.214
where: short stacking energy: -76.114
Base-Backbone interact. energy: -0.002
local terms energy: -84.344393
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -189.011898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011898 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.017
local terms energy: -73.491780
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.296
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: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -178.711211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.711211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.711211 (E_RNA)
where:
Base-Base interactions energy: -105.831
where: short stacking energy: -61.067
Base-Backbone interact. energy: -0.000
local terms energy: -72.880404
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -168.148572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.148572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.148572 (E_RNA)
where:
Base-Base interactions energy: -96.639
where: short stacking energy: -61.615
Base-Backbone interact. energy: -0.006
local terms energy: -71.504527
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -18.996
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: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -160.120071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.120071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.120071 (E_RNA)
where:
Base-Base interactions energy: -91.470
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.001
local terms energy: -68.649122
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -5.802
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -158.580198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.580198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.580198 (E_RNA)
where:
Base-Base interactions energy: -91.565
where: short stacking energy: -44.924
Base-Backbone interact. energy: -0.929
local terms energy: -66.085630
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -92.911441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911441 (E_RNA)
where:
Base-Base interactions energy: -37.381
where: short stacking energy: -33.794
Base-Backbone interact. energy: 0.365
local terms energy: -55.895289
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -3.584
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: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -88.431668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.431668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.431668 (E_RNA)
where:
Base-Base interactions energy: -30.195
where: short stacking energy: -21.756
Base-Backbone interact. energy: -0.109
local terms energy: -58.127971
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -91.015776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015776 (E_RNA)
where:
Base-Base interactions energy: -37.742
where: short stacking energy: -37.742
Base-Backbone interact. energy: -0.037
local terms energy: -53.236867
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -0.710
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: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -111.936834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.936834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.936834 (E_RNA)
where:
Base-Base interactions energy: -56.308
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.045
local terms energy: -55.583323
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -1.836
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: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -215.492883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.492883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.492883 (E_RNA)
where:
Base-Base interactions energy: -139.128
where: short stacking energy: -79.629
Base-Backbone interact. energy: -0.005
local terms energy: -76.359731
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -22.482
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: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -188.076822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.076822 (E_RNA)
where:
Base-Base interactions energy: -114.954
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.082
local terms energy: -73.041130
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -190.356186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.356186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.356186 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.118
local terms energy: -72.104390
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -175.281583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.281583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.281583 (E_RNA)
where:
Base-Base interactions energy: -110.010
where: short stacking energy: -48.763
Base-Backbone interact. energy: 0.756
local terms energy: -66.027788
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -154.078567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.078567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.078567 (E_RNA)
where:
Base-Base interactions energy: -94.470
where: short stacking energy: -57.689
Base-Backbone interact. energy: 1.592
local terms energy: -61.200054
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -165.844435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.844435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.844435 (E_RNA)
where:
Base-Base interactions energy: -93.872
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.180
local terms energy: -71.791607
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -99.294432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294432 (E_RNA)
where:
Base-Base interactions energy: -49.466
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.430
local terms energy: -49.398886
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -88.625017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.625017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.625017 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -40.278
Base-Backbone interact. energy: -0.115
local terms energy: -48.232099
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -5.864
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: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -87.204380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.204380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.204380 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -28.634
Base-Backbone interact. energy: -0.431
local terms energy: -45.628403
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -84.364499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.364499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.364499 (E_RNA)
where:
Base-Base interactions energy: -39.382
where: short stacking energy: -32.374
Base-Backbone interact. energy: -0.270
local terms energy: -44.712479
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -216.169765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.169765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.169765 (E_RNA)
where:
Base-Base interactions energy: -141.342
where: short stacking energy: -78.965
Base-Backbone interact. energy: -0.001
local terms energy: -74.827239
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -23.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -179.905924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.905924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.905924 (E_RNA)
where:
Base-Base interactions energy: -110.092
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.006
local terms energy: -69.807756
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -174.215821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.215821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.215821 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -55.897
Base-Backbone interact. energy: 0.330
local terms energy: -65.902247
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -165.455142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.455142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.455142 (E_RNA)
where:
Base-Base interactions energy: -99.849
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.218
local terms energy: -65.388351
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.587
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: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -166.829563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.829563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.829563 (E_RNA)
where:
Base-Base interactions energy: -99.074
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.265
local terms energy: -67.490673
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -10.911
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: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -158.604087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.604087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.604087 (E_RNA)
where:
Base-Base interactions energy: -88.107
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.223
local terms energy: -70.273715
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -123.750742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.750742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.750742 (E_RNA)
where:
Base-Base interactions energy: -64.588
where: short stacking energy: -51.356
Base-Backbone interact. energy: 1.074
local terms energy: -60.236649
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -11.078
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: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -95.492688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492688 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -36.665
Base-Backbone interact. energy: 0.454
local terms energy: -61.381233
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -86.281367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.281367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.281367 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -34.578
Base-Backbone interact. energy: 1.248
local terms energy: -50.877324
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -7.759
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -81.894042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894042 (E_RNA)
where:
Base-Base interactions energy: -38.734
where: short stacking energy: -38.734
Base-Backbone interact. energy: -0.055
local terms energy: -43.105381
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -4.945
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: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -209.932774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.932774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.932774 (E_RNA)
where:
Base-Base interactions energy: -129.891
where: short stacking energy: -75.256
Base-Backbone interact. energy: -0.001
local terms energy: -80.041385
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -20.873
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: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -190.247913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.247913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.247913 (E_RNA)
where:
Base-Base interactions energy: -111.589
where: short stacking energy: -66.623
Base-Backbone interact. energy: -0.647
local terms energy: -78.011532
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -172.213907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.213907 (E_RNA)
where:
Base-Base interactions energy: -105.039
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.024
local terms energy: -67.151089
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -173.240116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.240116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.240116 (E_RNA)
where:
Base-Base interactions energy: -94.804
where: short stacking energy: -53.540
Base-Backbone interact. energy: -1.392
local terms energy: -77.044143
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -157.720325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.720325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.720325 (E_RNA)
where:
Base-Base interactions energy: -91.019
where: short stacking energy: -51.040
Base-Backbone interact. energy: 0.241
local terms energy: -66.941726
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -9.567
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: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -157.641035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.641035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.641035 (E_RNA)
where:
Base-Base interactions energy: -90.103
where: short stacking energy: -50.334
Base-Backbone interact. energy: -0.387
local terms energy: -67.150541
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -114.804828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.804828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.804828 (E_RNA)
where:
Base-Base interactions energy: -56.854
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.963
local terms energy: -56.987936
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -94.267691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267691 (E_RNA)
where:
Base-Base interactions energy: -37.615
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.962
local terms energy: -55.691353
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -5.633
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: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -78.651507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.651507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.651507 (E_RNA)
where:
Base-Base interactions energy: -25.907
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.391
local terms energy: -52.353743
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -93.619507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.619507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.619507 (E_RNA)
where:
Base-Base interactions energy: -42.495
where: short stacking energy: -42.495
Base-Backbone interact. energy: -0.151
local terms energy: -50.973771
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -5.958
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -217.595080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.595080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.595080 (E_RNA)
where:
Base-Base interactions energy: -135.828
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.632
local terms energy: -81.135247
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -9.575
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -180.684170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.684170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.684170 (E_RNA)
where:
Base-Base interactions energy: -103.119
where: short stacking energy: -56.055
Base-Backbone interact. energy: 0.048
local terms energy: -77.613258
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -12.733
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: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -179.671519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.671519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.671519 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -52.914
Base-Backbone interact. energy: 0.684
local terms energy: -67.707584
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -177.945656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.945656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.945656 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -56.907
Base-Backbone interact. energy: -1.890
local terms energy: -67.197632
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -160.179415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.179415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.179415 (E_RNA)
where:
Base-Base interactions energy: -93.203
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.056
local terms energy: -66.920323
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -10.537
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: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -153.354667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.354667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.354667 (E_RNA)
where:
Base-Base interactions energy: -90.550
where: short stacking energy: -53.031
Base-Backbone interact. energy: 0.793
local terms energy: -63.598176
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -121.315280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.315280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.315280 (E_RNA)
where:
Base-Base interactions energy: -73.972
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.189
local terms energy: -47.154605
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -92.547404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547404 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -36.056
Base-Backbone interact. energy: 0.481
local terms energy: -56.971712
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -8.287
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: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -87.700241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700241 (E_RNA)
where:
Base-Base interactions energy: -40.199
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.487
local terms energy: -47.014911
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: 4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -79.281085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.281085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.281085 (E_RNA)
where:
Base-Base interactions energy: -26.487
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.020
local terms energy: -52.774276
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -7.836
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -218.412344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.412344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.412344 (E_RNA)
where:
Base-Base interactions energy: -132.319
where: short stacking energy: -80.341
Base-Backbone interact. energy: -0.050
local terms energy: -86.043531
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -193.743852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.743852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.743852 (E_RNA)
where:
Base-Base interactions energy: -122.295
where: short stacking energy: -68.228
Base-Backbone interact. energy: -0.043
local terms energy: -71.405624
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -190.324568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.324568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.324568 (E_RNA)
where:
Base-Base interactions energy: -108.343
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.829
local terms energy: -81.152800
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -167.753714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.753714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.753714 (E_RNA)
where:
Base-Base interactions energy: -106.827
where: short stacking energy: -56.038
Base-Backbone interact. energy: -0.436
local terms energy: -60.491335
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -149.866269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.866269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.866269 (E_RNA)
where:
Base-Base interactions energy: -88.050
where: short stacking energy: -48.275
Base-Backbone interact. energy: -0.102
local terms energy: -61.714727
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -12.401
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: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -156.633393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.633393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.633393 (E_RNA)
where:
Base-Base interactions energy: -94.288
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.583
local terms energy: -61.762261
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.694
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: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -98.225758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.225758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.225758 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -42.206
Base-Backbone interact. energy: 0.592
local terms energy: -56.611973
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -6.325
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: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -91.060077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.060077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.060077 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.108
local terms energy: -55.261028
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -100.968398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.968398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.968398 (E_RNA)
where:
Base-Base interactions energy: -47.462
where: short stacking energy: -47.462
Base-Backbone interact. energy: -0.071
local terms energy: -53.435910
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -76.317666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.317666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.317666 (E_RNA)
where:
Base-Base interactions energy: -20.071
where: short stacking energy: -19.349
Base-Backbone interact. energy: -0.133
local terms energy: -56.113462
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: 1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -217.971316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.971316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.971316 (E_RNA)
where:
Base-Base interactions energy: -133.337
where: short stacking energy: -79.210
Base-Backbone interact. energy: -0.031
local terms energy: -84.603383
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -186.410010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.410010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.410010 (E_RNA)
where:
Base-Base interactions energy: -110.551
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.424
local terms energy: -75.435802
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -166.986478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.986478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.986478 (E_RNA)
where:
Base-Base interactions energy: -102.088
where: short stacking energy: -60.582
Base-Backbone interact. energy: -0.553
local terms energy: -64.345367
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -172.664070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.664070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.664070 (E_RNA)
where:
Base-Base interactions energy: -102.274
where: short stacking energy: -53.200
Base-Backbone interact. energy: -0.254
local terms energy: -70.136507
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -164.764025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.764025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.764025 (E_RNA)
where:
Base-Base interactions energy: -95.434
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.103
local terms energy: -69.226830
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -146.914873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.914873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.914873 (E_RNA)
where:
Base-Base interactions energy: -83.026
where: short stacking energy: -38.580
Base-Backbone interact. energy: -0.209
local terms energy: -63.680204
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -96.627136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.627136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.627136 (E_RNA)
where:
Base-Base interactions energy: -36.840
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.176
local terms energy: -59.610563
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -100.300791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.300791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.300791 (E_RNA)
where:
Base-Base interactions energy: -47.402
where: short stacking energy: -42.510
Base-Backbone interact. energy: 0.803
local terms energy: -53.701837
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -5.706
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: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -102.756050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.756050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.756050 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -37.651
Base-Backbone interact. energy: -0.792
local terms energy: -62.966994
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -9.833
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: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -82.732214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.732214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.732214 (E_RNA)
where:
Base-Base interactions energy: -28.020
where: short stacking energy: -28.020
Base-Backbone interact. energy: -0.095
local terms energy: -54.617705
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -213.124738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.124738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.124738 (E_RNA)
where:
Base-Base interactions energy: -127.653
where: short stacking energy: -77.067
Base-Backbone interact. energy: -0.003
local terms energy: -85.469376
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -199.779300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.779300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.779300 (E_RNA)
where:
Base-Base interactions energy: -114.819
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.731
local terms energy: -84.228873
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -182.278119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.278119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.278119 (E_RNA)
where:
Base-Base interactions energy: -109.477
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.249
local terms energy: -72.552125
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -162.648394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.648394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.648394 (E_RNA)
where:
Base-Base interactions energy: -104.107
where: short stacking energy: -57.734
Base-Backbone interact. energy: 0.661
local terms energy: -59.202259
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -170.658418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.658418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.658418 (E_RNA)
where:
Base-Base interactions energy: -108.506
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.083
local terms energy: -62.069124
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -5.152
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -134.754553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.754553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.754553 (E_RNA)
where:
Base-Base interactions energy: -76.723
where: short stacking energy: -48.298
Base-Backbone interact. energy: -0.200
local terms energy: -57.831472
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -12.097
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: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -105.308673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.308673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.308673 (E_RNA)
where:
Base-Base interactions energy: -51.368
where: short stacking energy: -45.562
Base-Backbone interact. energy: -0.109
local terms energy: -53.832465
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.220
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: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -100.909190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.909190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.909190 (E_RNA)
where:
Base-Base interactions energy: -44.219
where: short stacking energy: -41.351
Base-Backbone interact. energy: 0.187
local terms energy: -56.876927
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -86.745304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.745304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.745304 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -21.671
Base-Backbone interact. energy: 2.852
local terms energy: -47.953614
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: 2.961
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: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -73.571038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.571038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.571038 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -23.796
Base-Backbone interact. energy: 0.081
local terms energy: -45.299764
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 0.083
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -198.715797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.715797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.715797 (E_RNA)
where:
Base-Base interactions energy: -117.536
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.655
local terms energy: -80.524225
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -203.029010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.029010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.029010 (E_RNA)
where:
Base-Base interactions energy: -124.064
where: short stacking energy: -71.425
Base-Backbone interact. energy: -0.060
local terms energy: -78.905624
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -172.520821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.520821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.520821 (E_RNA)
where:
Base-Base interactions energy: -100.849
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.023
local terms energy: -71.648204
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -159.515207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.515207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.515207 (E_RNA)
where:
Base-Base interactions energy: -94.321
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.094
local terms energy: -65.100564
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -8.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -150.611952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.611952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.611952 (E_RNA)
where:
Base-Base interactions energy: -85.258
where: short stacking energy: -52.130
Base-Backbone interact. energy: -0.010
local terms energy: -65.343925
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -155.920284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.920284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.920284 (E_RNA)
where:
Base-Base interactions energy: -93.833
where: short stacking energy: -54.478
Base-Backbone interact. energy: -0.120
local terms energy: -61.967873
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -98.728926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.728926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.728926 (E_RNA)
where:
Base-Base interactions energy: -41.890
where: short stacking energy: -32.641
Base-Backbone interact. energy: -0.035
local terms energy: -56.803312
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -10.828
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -88.896522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.896522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.896522 (E_RNA)
where:
Base-Base interactions energy: -39.319
where: short stacking energy: -27.078
Base-Backbone interact. energy: -0.367
local terms energy: -49.210967
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -81.763631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.763631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.763631 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -33.750
Base-Backbone interact. energy: -0.121
local terms energy: -46.240073
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -78.051837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.051837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.051837 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -31.678
Base-Backbone interact. energy: -0.306
local terms energy: -43.425212
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -8.996
flat angles P-C4'-P energy: -2.791
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -200.236411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.236411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.236411 (E_RNA)
where:
Base-Base interactions energy: -121.535
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.041
local terms energy: -78.660147
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -202.035651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.035651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.035651 (E_RNA)
where:
Base-Base interactions energy: -126.746
where: short stacking energy: -73.451
Base-Backbone interact. energy: -0.002
local terms energy: -75.287721
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.112
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: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -171.253551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.253551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.253551 (E_RNA)
where:
Base-Base interactions energy: -100.779
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.190
local terms energy: -70.284425
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.354
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: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -169.661608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.661608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.661608 (E_RNA)
where:
Base-Base interactions energy: -97.908
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.031
local terms energy: -71.722325
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -169.974665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.974665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.974665 (E_RNA)
where:
Base-Base interactions energy: -104.293
where: short stacking energy: -54.013
Base-Backbone interact. energy: -0.330
local terms energy: -65.352233
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.126
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: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -151.795875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.795875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.795875 (E_RNA)
where:
Base-Base interactions energy: -90.594
where: short stacking energy: -48.546
Base-Backbone interact. energy: -0.126
local terms energy: -61.076486
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -113.391633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.391633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.391633 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.000
local terms energy: -73.436341
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -92.395568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.395568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.395568 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.235
local terms energy: -53.289710
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -86.710329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.710329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.710329 (E_RNA)
where:
Base-Base interactions energy: -35.574
where: short stacking energy: -34.490
Base-Backbone interact. energy: -0.193
local terms energy: -50.943557
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -96.079138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.079138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.079138 (E_RNA)
where:
Base-Base interactions energy: -53.095
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.324
local terms energy: -42.659793
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: 2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -202.382785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.382785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.382785 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.008
local terms energy: -79.958770
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -8.576
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -201.466299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.466299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.466299 (E_RNA)
where:
Base-Base interactions energy: -123.605
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.628
local terms energy: -77.232619
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -18.470
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: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -179.669092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669092 (E_RNA)
where:
Base-Base interactions energy: -104.300
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.399
local terms energy: -74.969908
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -155.364825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.364825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.364825 (E_RNA)
where:
Base-Base interactions energy: -90.638
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.093
local terms energy: -64.633240
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -11.026
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: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -170.582382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.582382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.582382 (E_RNA)
where:
Base-Base interactions energy: -102.860
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.326
local terms energy: -67.396527
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -12.389
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: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -157.055357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.055357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.055357 (E_RNA)
where:
Base-Base interactions energy: -100.381
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.021
local terms energy: -56.653929
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -13.181
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: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -97.626127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626127 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -33.208
Base-Backbone interact. energy: -0.076
local terms energy: -59.443240
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -6.448
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: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -89.079179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.079179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.079179 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.006
local terms energy: -51.191356
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -105.264062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.264062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.264062 (E_RNA)
where:
Base-Base interactions energy: -46.091
where: short stacking energy: -25.997
Base-Backbone interact. energy: -0.217
local terms energy: -58.956162
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -4.254
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -94.889986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.889986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.889986 (E_RNA)
where:
Base-Base interactions energy: -46.342
where: short stacking energy: -31.245
Base-Backbone interact. energy: 1.909
local terms energy: -50.456910
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -202.828764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.828764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.828764 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -72.844
Base-Backbone interact. energy: 0.447
local terms energy: -77.553528
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -12.577
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: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -190.388832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.388832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.388832 (E_RNA)
where:
Base-Base interactions energy: -106.222
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.049
local terms energy: -84.117358
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -187.637087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.637087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.637087 (E_RNA)
where:
Base-Base interactions energy: -108.697
where: short stacking energy: -56.867
Base-Backbone interact. energy: -0.075
local terms energy: -78.864834
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -7.534
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: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -173.187593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.187593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.187593 (E_RNA)
where:
Base-Base interactions energy: -101.975
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.105
local terms energy: -71.107881
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -164.076116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.076116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.076116 (E_RNA)
where:
Base-Base interactions energy: -94.393
where: short stacking energy: -57.812
Base-Backbone interact. energy: -0.586
local terms energy: -69.097206
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -168.330606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.330606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.330606 (E_RNA)
where:
Base-Base interactions energy: -95.930
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.731
local terms energy: -71.669704
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -106.938363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.938363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.938363 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -39.731
Base-Backbone interact. energy: 0.504
local terms energy: -68.061152
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -96.550315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.550315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.550315 (E_RNA)
where:
Base-Base interactions energy: -47.682
where: short stacking energy: -47.682
Base-Backbone interact. energy: 1.142
local terms energy: -50.010545
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -105.260931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.260931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.260931 (E_RNA)
where:
Base-Base interactions energy: -50.031
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.346
local terms energy: -54.883528
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -80.269513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.269513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.269513 (E_RNA)
where:
Base-Base interactions energy: -25.921
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.027
local terms energy: -54.322313
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -215.413189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.413189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.413189 (E_RNA)
where:
Base-Base interactions energy: -132.723
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.001
local terms energy: -82.689282
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -23.413
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: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -194.716843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.716843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.716843 (E_RNA)
where:
Base-Base interactions energy: -111.940
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.003
local terms energy: -82.773458
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -190.053057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.053057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.053057 (E_RNA)
where:
Base-Base interactions energy: -115.668
where: short stacking energy: -69.475
Base-Backbone interact. energy: -0.186
local terms energy: -74.199093
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -179.493399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.493399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.493399 (E_RNA)
where:
Base-Base interactions energy: -112.502
where: short stacking energy: -60.002
Base-Backbone interact. energy: 1.110
local terms energy: -68.101515
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -161.520148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.520148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.520148 (E_RNA)
where:
Base-Base interactions energy: -89.548
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.176
local terms energy: -71.796249
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -143.995134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.995134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.995134 (E_RNA)
where:
Base-Base interactions energy: -88.468
where: short stacking energy: -46.622
Base-Backbone interact. energy: -0.186
local terms energy: -55.341561
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -5.764
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -10.961
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: 342
Temperature: 1.200000
Total energy: -86.164422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.164422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.164422 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.058
local terms energy: -52.626046
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: 0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -85.593373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593373 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -30.094
Base-Backbone interact. energy: 2.272
local terms energy: -57.771576
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -104.526983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.526983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.526983 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -41.996
Base-Backbone interact. energy: -0.108
local terms energy: -62.422250
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -81.098374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.098374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.098374 (E_RNA)
where:
Base-Base interactions energy: -29.699
where: short stacking energy: -29.031
Base-Backbone interact. energy: 2.559
local terms energy: -53.958973
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -200.951436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.951436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.951436 (E_RNA)
where:
Base-Base interactions energy: -119.976
where: short stacking energy: -68.827
Base-Backbone interact. energy: 0.049
local terms energy: -81.024634
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -17.699
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: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -202.957928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957928 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -70.078
Base-Backbone interact. energy: -0.002
local terms energy: -80.501542
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -181.437973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.437973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.437973 (E_RNA)
where:
Base-Base interactions energy: -111.361
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.065
local terms energy: -70.011643
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -168.434559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.434559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.434559 (E_RNA)
where:
Base-Base interactions energy: -109.965
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.187
local terms energy: -58.282252
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.201
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: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -159.525280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.525280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.525280 (E_RNA)
where:
Base-Base interactions energy: -94.355
where: short stacking energy: -56.802
Base-Backbone interact. energy: 0.615
local terms energy: -65.785336
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -89.164471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.164471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.164471 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -35.805
Base-Backbone interact. energy: 0.861
local terms energy: -54.220042
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: 0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -142.062947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.062947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.062947 (E_RNA)
where:
Base-Base interactions energy: -84.319
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.551
local terms energy: -57.192691
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -84.449758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.449758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.449758 (E_RNA)
where:
Base-Base interactions energy: -30.772
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.009
local terms energy: -53.668712
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -0.877
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: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -85.814244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.814244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.814244 (E_RNA)
where:
Base-Base interactions energy: -32.038
where: short stacking energy: -33.430
Base-Backbone interact. energy: 1.171
local terms energy: -54.946460
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -79.458764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458764 (E_RNA)
where:
Base-Base interactions energy: -30.040
where: short stacking energy: -29.804
Base-Backbone interact. energy: -0.315
local terms energy: -49.103644
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -214.142437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.142437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.142437 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.004
local terms energy: -82.526301
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -186.015539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.015539 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.939
local terms energy: -70.279112
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -183.905308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905308 (E_RNA)
where:
Base-Base interactions energy: -106.802
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.377
local terms energy: -76.726237
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -165.918597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.918597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.918597 (E_RNA)
where:
Base-Base interactions energy: -101.104
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.006
local terms energy: -64.808214
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -14.198
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: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -165.901792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901792 (E_RNA)
where:
Base-Base interactions energy: -94.615
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.078
local terms energy: -71.209316
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -110.763658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.763658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.763658 (E_RNA)
where:
Base-Base interactions energy: -45.706
where: short stacking energy: -45.706
Base-Backbone interact. energy: -0.013
local terms energy: -65.044151
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -147.337996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.337996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.337996 (E_RNA)
where:
Base-Base interactions energy: -86.624
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.192
local terms energy: -60.521033
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -82.201942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.201942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.201942 (E_RNA)
where:
Base-Base interactions energy: -32.518
where: short stacking energy: -31.868
Base-Backbone interact. energy: -0.045
local terms energy: -49.638384
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -8.181
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -12.078
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: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -86.955211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955211 (E_RNA)
where:
Base-Base interactions energy: -25.337
where: short stacking energy: -25.337
Base-Backbone interact. energy: -1.335
local terms energy: -60.283495
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -75.619704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.619704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.619704 (E_RNA)
where:
Base-Base interactions energy: -32.160
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.263
local terms energy: -43.197407
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -1.898
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: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -207.002611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.002611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.002611 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -65.675
Base-Backbone interact. energy: 0.144
local terms energy: -73.071693
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -189.562726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.562726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.562726 (E_RNA)
where:
Base-Base interactions energy: -115.847
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.089
local terms energy: -73.627211
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -184.250070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.250070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.250070 (E_RNA)
where:
Base-Base interactions energy: -112.963
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.045
local terms energy: -71.242081
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -9.021
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: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -181.073503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.073503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.073503 (E_RNA)
where:
Base-Base interactions energy: -104.852
where: short stacking energy: -67.123
Base-Backbone interact. energy: 0.191
local terms energy: -76.412760
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.382
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: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -168.525661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.525661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.525661 (E_RNA)
where:
Base-Base interactions energy: -105.267
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.031
local terms energy: -63.227849
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -10.086
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -150.935036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.935036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.935036 (E_RNA)
where:
Base-Base interactions energy: -91.236
where: short stacking energy: -46.962
Base-Backbone interact. energy: -0.009
local terms energy: -59.690677
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -98.813904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.813904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.813904 (E_RNA)
where:
Base-Base interactions energy: -42.841
where: short stacking energy: -42.841
Base-Backbone interact. energy: -0.180
local terms energy: -55.793515
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -94.994037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994037 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -30.387
Base-Backbone interact. energy: -0.027
local terms energy: -56.453994
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -85.592304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.592304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.592304 (E_RNA)
where:
Base-Base interactions energy: -40.501
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.190
local terms energy: -44.900588
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -87.901851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.901851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.901851 (E_RNA)
where:
Base-Base interactions energy: -38.872
where: short stacking energy: -38.872
Base-Backbone interact. energy: -0.220
local terms energy: -48.810652
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -203.816142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.816142 (E_RNA)
where:
Base-Base interactions energy: -128.937
where: short stacking energy: -72.427
Base-Backbone interact. energy: -0.552
local terms energy: -74.327078
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -194.542420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.542420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.542420 (E_RNA)
where:
Base-Base interactions energy: -119.640
where: short stacking energy: -64.650
Base-Backbone interact. energy: -0.071
local terms energy: -74.830892
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -196.445684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.445684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.445684 (E_RNA)
where:
Base-Base interactions energy: -116.702
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.010
local terms energy: -79.733708
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.411
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: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -173.742972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.742972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.742972 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.073
local terms energy: -65.848528
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -150.187676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.187676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.187676 (E_RNA)
where:
Base-Base interactions energy: -88.279
where: short stacking energy: -40.229
Base-Backbone interact. energy: -0.179
local terms energy: -61.730484
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -5.016
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: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -152.106864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.106864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.106864 (E_RNA)
where:
Base-Base interactions energy: -92.733
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.282
local terms energy: -59.091370
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -96.215101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.215101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.215101 (E_RNA)
where:
Base-Base interactions energy: -35.071
where: short stacking energy: -35.071
Base-Backbone interact. energy: 0.015
local terms energy: -61.158571
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -87.156747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.156747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.156747 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -31.070
Base-Backbone interact. energy: -0.175
local terms energy: -52.314967
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -88.492150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492150 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -40.256
Base-Backbone interact. energy: -0.048
local terms energy: -48.188030
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -3.949
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: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -82.232548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.232548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.232548 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -22.104
Base-Backbone interact. energy: -0.047
local terms energy: -46.385928
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -202.911347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.911347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.911347 (E_RNA)
where:
Base-Base interactions energy: -119.559
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.213
local terms energy: -83.139073
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -14.910
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: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -175.630557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.630557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.630557 (E_RNA)
where:
Base-Base interactions energy: -108.515
where: short stacking energy: -63.798
Base-Backbone interact. energy: 1.504
local terms energy: -68.619211
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -12.719
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: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -194.561094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.561094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.561094 (E_RNA)
where:
Base-Base interactions energy: -113.195
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.170
local terms energy: -81.195968
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -177.564839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.564839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.564839 (E_RNA)
where:
Base-Base interactions energy: -109.685
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.028
local terms energy: -67.852139
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -158.102446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.102446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.102446 (E_RNA)
where:
Base-Base interactions energy: -90.183
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.106
local terms energy: -67.813233
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -7.588
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: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -153.054397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.054397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.054397 (E_RNA)
where:
Base-Base interactions energy: -97.311
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.331
local terms energy: -55.412441
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -9.912
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: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -95.600756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.600756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.600756 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.183
local terms energy: -59.852135
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -100.534625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.534625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.534625 (E_RNA)
where:
Base-Base interactions energy: -53.298
where: short stacking energy: -39.501
Base-Backbone interact. energy: 1.167
local terms energy: -48.403792
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -3.364
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: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -88.641398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.641398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.641398 (E_RNA)
where:
Base-Base interactions energy: -46.322
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.189
local terms energy: -42.130806
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -1.040
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -106.913406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.913406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.913406 (E_RNA)
where:
Base-Base interactions energy: -57.422
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.222
local terms energy: -49.269464
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -203.278735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.278735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.278735 (E_RNA)
where:
Base-Base interactions energy: -122.937
where: short stacking energy: -76.872
Base-Backbone interact. energy: -0.002
local terms energy: -80.340196
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -11.544
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: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -175.849859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.849859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.849859 (E_RNA)
where:
Base-Base interactions energy: -103.930
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.127
local terms energy: -71.792548
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -178.309703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.309703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.309703 (E_RNA)
where:
Base-Base interactions energy: -107.238
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.170
local terms energy: -70.901602
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -189.552660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552660 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -74.899
Base-Backbone interact. energy: -0.010
local terms energy: -63.861193
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -163.922011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.922011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.922011 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -52.046
Base-Backbone interact. energy: 0.189
local terms energy: -69.563577
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -159.766970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.766970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.766970 (E_RNA)
where:
Base-Base interactions energy: -91.716
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.081
local terms energy: -67.970419
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -139.016335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.016335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.016335 (E_RNA)
where:
Base-Base interactions energy: -72.637
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.002
local terms energy: -66.376804
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -93.985841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.985841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.985841 (E_RNA)
where:
Base-Base interactions energy: -30.387
where: short stacking energy: -25.581
Base-Backbone interact. energy: -0.291
local terms energy: -63.307758
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -78.123469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.123469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.123469 (E_RNA)
where:
Base-Base interactions energy: -26.751
where: short stacking energy: -26.751
Base-Backbone interact. energy: 0.523
local terms energy: -51.895782
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -81.040744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.040744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.040744 (E_RNA)
where:
Base-Base interactions energy: -30.529
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.232
local terms energy: -50.279763
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -10.171
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: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -205.614424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614424 (E_RNA)
where:
Base-Base interactions energy: -127.738
where: short stacking energy: -80.934
Base-Backbone interact. energy: -0.004
local terms energy: -77.872479
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -178.201322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.201322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.201322 (E_RNA)
where:
Base-Base interactions energy: -102.248
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.059
local terms energy: -75.894354
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -180.923492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.923492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.923492 (E_RNA)
where:
Base-Base interactions energy: -104.645
where: short stacking energy: -60.013
Base-Backbone interact. energy: -0.053
local terms energy: -76.225480
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -17.206
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: 349
Temperature: 1.050000
Total energy: -155.369124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.369124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.369124 (E_RNA)
where:
Base-Base interactions energy: -97.134
where: short stacking energy: -42.912
Base-Backbone interact. energy: -0.254
local terms energy: -57.981117
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -8.708
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: 349
Temperature: 1.100000
Total energy: -187.849105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.849105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.849105 (E_RNA)
where:
Base-Base interactions energy: -114.711
where: short stacking energy: -65.402
Base-Backbone interact. energy: 0.205
local terms energy: -73.342695
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -17.421
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: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -153.240261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.240261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.240261 (E_RNA)
where:
Base-Base interactions energy: -97.441
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.117
local terms energy: -55.682728
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -128.684421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.684421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.684421 (E_RNA)
where:
Base-Base interactions energy: -61.477
where: short stacking energy: -32.094
Base-Backbone interact. energy: -0.296
local terms energy: -66.911446
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -88.702036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.702036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.702036 (E_RNA)
where:
Base-Base interactions energy: -34.661
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.168
local terms energy: -53.873610
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -87.265718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.265718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.265718 (E_RNA)
where:
Base-Base interactions energy: -27.379
where: short stacking energy: -27.379
Base-Backbone interact. energy: -0.054
local terms energy: -59.832243
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -4.578
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: 349
Temperature: 1.350000
Total energy: -82.252992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.252992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.252992 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.250
local terms energy: -45.717713
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -207.134888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.134888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.134888 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -78.348
Base-Backbone interact. energy: -0.024
local terms energy: -81.174961
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -189.145093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.145093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.145093 (E_RNA)
where:
Base-Base interactions energy: -111.946
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.023
local terms energy: -77.176526
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -17.907
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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -173.394717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.394717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.394717 (E_RNA)
where:
Base-Base interactions energy: -100.945
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.206
local terms energy: -72.243605
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -154.643687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.643687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.643687 (E_RNA)
where:
Base-Base interactions energy: -91.432
where: short stacking energy: -57.404
Base-Backbone interact. energy: 0.190
local terms energy: -63.402084
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -155.055461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.055461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.055461 (E_RNA)
where:
Base-Base interactions energy: -97.107
where: short stacking energy: -46.721
Base-Backbone interact. energy: -0.773
local terms energy: -57.175498
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -173.945788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.945788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.945788 (E_RNA)
where:
Base-Base interactions energy: -102.452
where: short stacking energy: -65.351
Base-Backbone interact. energy: 1.827
local terms energy: -73.320647
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -85.212364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212364 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.739
local terms energy: -50.748341
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -106.920071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.920071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.920071 (E_RNA)
where:
Base-Base interactions energy: -45.754
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.017
local terms energy: -61.148840
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -89.549981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549981 (E_RNA)
where:
Base-Base interactions energy: -41.652
where: short stacking energy: -31.517
Base-Backbone interact. energy: -0.202
local terms energy: -47.695658
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -85.403668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.403668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.403668 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -27.485
Base-Backbone interact. energy: -0.358
local terms energy: -46.732209
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -5.891
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: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -208.166419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.166419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.166419 (E_RNA)
where:
Base-Base interactions energy: -125.794
where: short stacking energy: -73.721
Base-Backbone interact. energy: 0.802
local terms energy: -83.175176
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -180.878538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.878538 (E_RNA)
where:
Base-Base interactions energy: -110.339
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.479
local terms energy: -70.061039
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -17.783
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: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -180.967477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.967477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.967477 (E_RNA)
where:
Base-Base interactions energy: -108.428
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.104
local terms energy: -72.435233
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -12.256
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: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -159.934826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.934826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.934826 (E_RNA)
where:
Base-Base interactions energy: -89.755
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.899
local terms energy: -69.280783
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -162.405266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.405266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.405266 (E_RNA)
where:
Base-Base interactions energy: -98.449
where: short stacking energy: -44.834
Base-Backbone interact. energy: 0.175
local terms energy: -64.130644
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -177.948826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.948826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.948826 (E_RNA)
where:
Base-Base interactions energy: -107.719
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.007
local terms energy: -70.222759
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.258
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: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -106.837717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.837717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.837717 (E_RNA)
where:
Base-Base interactions energy: -44.224
where: short stacking energy: -44.224
Base-Backbone interact. energy: -0.101
local terms energy: -62.513560
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -114.342090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.342090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.342090 (E_RNA)
where:
Base-Base interactions energy: -65.044
where: short stacking energy: -42.074
Base-Backbone interact. energy: -0.234
local terms energy: -49.064645
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -89.794000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.794000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.794000 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -40.525
Base-Backbone interact. energy: -0.291
local terms energy: -48.648697
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -4.882
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: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -78.729719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729719 (E_RNA)
where:
Base-Base interactions energy: -24.759
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.218
local terms energy: -53.752180
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -198.667938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.667938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.667938 (E_RNA)
where:
Base-Base interactions energy: -116.901
where: short stacking energy: -67.847
Base-Backbone interact. energy: -0.041
local terms energy: -81.725447
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -20.157
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: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -191.451241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.451241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.451241 (E_RNA)
where:
Base-Base interactions energy: -120.415
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.186
local terms energy: -70.850240
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -176.629307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.629307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.629307 (E_RNA)
where:
Base-Base interactions energy: -113.427
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.183
local terms energy: -63.019070
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -183.233064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.233064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.233064 (E_RNA)
where:
Base-Base interactions energy: -109.516
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.001
local terms energy: -73.716177
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -176.256649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256649 (E_RNA)
where:
Base-Base interactions energy: -106.200
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.171
local terms energy: -69.886047
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -15.054
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: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -146.689563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.689563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.689563 (E_RNA)
where:
Base-Base interactions energy: -84.305
where: short stacking energy: -39.239
Base-Backbone interact. energy: -0.064
local terms energy: -62.320150
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -126.527677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.527677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.527677 (E_RNA)
where:
Base-Base interactions energy: -75.952
where: short stacking energy: -36.831
Base-Backbone interact. energy: -0.114
local terms energy: -50.461000
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -85.211947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.211947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.211947 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.044
local terms energy: -44.936953
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -112.911806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.911806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.911806 (E_RNA)
where:
Base-Base interactions energy: -55.257
where: short stacking energy: -34.949
Base-Backbone interact. energy: -0.150
local terms energy: -57.504211
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -84.259416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.259416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.259416 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -27.140
Base-Backbone interact. energy: -0.139
local terms energy: -49.407863
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -0.029
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: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -186.209758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.209758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.209758 (E_RNA)
where:
Base-Base interactions energy: -116.588
where: short stacking energy: -67.858
Base-Backbone interact. energy: -0.584
local terms energy: -69.037404
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -189.283306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.283306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.283306 (E_RNA)
where:
Base-Base interactions energy: -117.375
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.155
local terms energy: -71.752564
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -18.775
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: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -184.990806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990806 (E_RNA)
where:
Base-Base interactions energy: -112.651
where: short stacking energy: -56.834
Base-Backbone interact. energy: -0.241
local terms energy: -72.099040
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -185.015105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.015105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.015105 (E_RNA)
where:
Base-Base interactions energy: -114.233
where: short stacking energy: -66.144
Base-Backbone interact. energy: -0.158
local terms energy: -70.623965
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -179.370273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.370273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.370273 (E_RNA)
where:
Base-Base interactions energy: -104.257
where: short stacking energy: -63.463
Base-Backbone interact. energy: -0.068
local terms energy: -75.045515
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -14.715
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: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -137.216967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.216967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.216967 (E_RNA)
where:
Base-Base interactions energy: -73.747
where: short stacking energy: -45.915
Base-Backbone interact. energy: -0.702
local terms energy: -62.767877
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -6.723
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: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -153.833110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.833110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.833110 (E_RNA)
where:
Base-Base interactions energy: -92.242
where: short stacking energy: -45.508
Base-Backbone interact. energy: -0.061
local terms energy: -61.530136
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -94.940256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.940256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.940256 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.530
local terms energy: -54.859662
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -6.749
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: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -86.674046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.674046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.674046 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.224
local terms energy: -55.827998
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -4.789
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: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -80.881571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.881571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.881571 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -23.719
Base-Backbone interact. energy: 0.416
local terms energy: -57.103974
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.139
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: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -184.764945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.764945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.764945 (E_RNA)
where:
Base-Base interactions energy: -108.108
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.038
local terms energy: -76.618928
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -197.241823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.241823 (E_RNA)
where:
Base-Base interactions energy: -123.594
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.002
local terms energy: -73.646113
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -189.348431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.348431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.348431 (E_RNA)
where:
Base-Base interactions energy: -117.096
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.019
local terms energy: -72.232892
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -6.346
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: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -175.498002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.498002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.498002 (E_RNA)
where:
Base-Base interactions energy: -107.173
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.001
local terms energy: -68.324448
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -14.140
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: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -158.995220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.995220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.995220 (E_RNA)
where:
Base-Base interactions energy: -100.734
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.724
local terms energy: -57.537461
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -145.975098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.975098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.975098 (E_RNA)
where:
Base-Base interactions energy: -74.402
where: short stacking energy: -32.911
Base-Backbone interact. energy: 0.399
local terms energy: -71.972945
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -140.028566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.028566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.028566 (E_RNA)
where:
Base-Base interactions energy: -85.678
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.120
local terms energy: -54.230777
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -91.563850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.563850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.563850 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -34.245
Base-Backbone interact. energy: -0.215
local terms energy: -57.103494
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -9.644
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: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -92.507845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.507845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.507845 (E_RNA)
where:
Base-Base interactions energy: -41.150
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.152
local terms energy: -51.206154
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -82.617284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.617284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.617284 (E_RNA)
where:
Base-Base interactions energy: -32.690
where: short stacking energy: -32.690
Base-Backbone interact. energy: 0.116
local terms energy: -50.043722
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -182.893519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.893519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.893519 (E_RNA)
where:
Base-Base interactions energy: -115.727
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.026
local terms energy: -67.140610
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -10.287
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: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -188.733357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.733357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.733357 (E_RNA)
where:
Base-Base interactions energy: -116.728
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.023
local terms energy: -71.982360
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -18.136
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: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -188.905954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905954 (E_RNA)
where:
Base-Base interactions energy: -113.484
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.005
local terms energy: -75.416902
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -169.624978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.624978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.624978 (E_RNA)
where:
Base-Base interactions energy: -102.244
where: short stacking energy: -47.598
Base-Backbone interact. energy: 0.119
local terms energy: -67.499762
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -11.405
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: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -171.857800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.857800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.857800 (E_RNA)
where:
Base-Base interactions energy: -107.239
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.003
local terms energy: -64.616464
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -155.872842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.872842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.872842 (E_RNA)
where:
Base-Base interactions energy: -77.916
where: short stacking energy: -46.856
Base-Backbone interact. energy: -0.110
local terms energy: -77.847456
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -138.096162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.096162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.096162 (E_RNA)
where:
Base-Base interactions energy: -82.021
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.210
local terms energy: -55.864841
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -88.457217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.457217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.457217 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -20.625
Base-Backbone interact. energy: -0.283
local terms energy: -56.419325
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -3.397
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: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -79.862492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.862492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.862492 (E_RNA)
where:
Base-Base interactions energy: -26.055
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.188
local terms energy: -53.619043
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -76.297561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.297561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.297561 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -24.176
Base-Backbone interact. energy: 0.045
local terms energy: -51.660988
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -195.460312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.460312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.460312 (E_RNA)
where:
Base-Base interactions energy: -120.193
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.025
local terms energy: -75.242138
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -9.213
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: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -196.606832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.606832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.606832 (E_RNA)
where:
Base-Base interactions energy: -126.226
where: short stacking energy: -76.773
Base-Backbone interact. energy: 0.780
local terms energy: -71.160494
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -165.919605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.919605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.919605 (E_RNA)
where:
Base-Base interactions energy: -99.249
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.122
local terms energy: -66.548894
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -13.243
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: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -184.078340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.078340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.078340 (E_RNA)
where:
Base-Base interactions energy: -108.561
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.844
local terms energy: -74.673259
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -159.301356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.301356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.301356 (E_RNA)
where:
Base-Base interactions energy: -95.546
where: short stacking energy: -45.843
Base-Backbone interact. energy: 0.184
local terms energy: -63.940105
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -1.333
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -154.680295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.680295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.680295 (E_RNA)
where:
Base-Base interactions energy: -91.962
where: short stacking energy: -50.733
Base-Backbone interact. energy: -0.162
local terms energy: -62.555500
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -93.860465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.860465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.860465 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -31.700
Base-Backbone interact. energy: -0.301
local terms energy: -56.889430
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -7.769
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -100.230563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230563 (E_RNA)
where:
Base-Base interactions energy: -46.486
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.124
local terms energy: -53.620075
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -87.135302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.135302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.135302 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.748
local terms energy: -49.056991
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -85.683497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.683497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.683497 (E_RNA)
where:
Base-Base interactions energy: -27.602
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.142
local terms energy: -57.939054
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -187.872558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.872558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.872558 (E_RNA)
where:
Base-Base interactions energy: -114.679
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.119
local terms energy: -73.074655
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -12.587
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -183.337120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.337120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.337120 (E_RNA)
where:
Base-Base interactions energy: -108.305
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.001
local terms energy: -75.031777
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -191.234340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.234340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.234340 (E_RNA)
where:
Base-Base interactions energy: -115.976
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.495
local terms energy: -74.763615
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -184.261623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.261623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.261623 (E_RNA)
where:
Base-Base interactions energy: -111.448
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.081
local terms energy: -72.733006
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -169.840639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.840639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.840639 (E_RNA)
where:
Base-Base interactions energy: -99.380
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.078
local terms energy: -70.382468
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -139.377330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.377330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.377330 (E_RNA)
where:
Base-Base interactions energy: -72.397
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.296
local terms energy: -66.684984
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -98.819849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.819849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.819849 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.013
local terms energy: -61.842819
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -9.266
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -90.867254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.867254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.867254 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.605
local terms energy: -52.210658
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -6.703
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: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -85.959747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959747 (E_RNA)
where:
Base-Base interactions energy: -42.385
where: short stacking energy: -41.855
Base-Backbone interact. energy: 0.221
local terms energy: -43.796548
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -94.819667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.819667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.819667 (E_RNA)
where:
Base-Base interactions energy: -40.203
where: short stacking energy: -40.203
Base-Backbone interact. energy: -0.089
local terms energy: -54.527912
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -193.164111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.164111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.164111 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -62.556
Base-Backbone interact. energy: -0.168
local terms energy: -69.380858
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -186.933602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.933602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.933602 (E_RNA)
where:
Base-Base interactions energy: -111.026
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.735
local terms energy: -75.172666
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -17.813
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: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -180.081166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.081166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.081166 (E_RNA)
where:
Base-Base interactions energy: -115.637
where: short stacking energy: -64.603
Base-Backbone interact. energy: 0.819
local terms energy: -65.263324
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -4.942
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -167.613904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.613904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.613904 (E_RNA)
where:
Base-Base interactions energy: -101.128
where: short stacking energy: -56.043
Base-Backbone interact. energy: 0.123
local terms energy: -66.609279
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -11.964
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: 358
Temperature: 1.100000
Total energy: -181.704585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.704585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.704585 (E_RNA)
where:
Base-Base interactions energy: -102.971
where: short stacking energy: -61.624
Base-Backbone interact. energy: 0.364
local terms energy: -79.097604
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -142.501036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.501036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.501036 (E_RNA)
where:
Base-Base interactions energy: -90.626
where: short stacking energy: -48.197
Base-Backbone interact. energy: -0.045
local terms energy: -51.830142
where:
bonds (distance) C4'-P energy: -6.615
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -99.855217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.855217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.855217 (E_RNA)
where:
Base-Base interactions energy: -36.924
where: short stacking energy: -36.924
Base-Backbone interact. energy: -0.046
local terms energy: -62.884720
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -112.828531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.828531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.828531 (E_RNA)
where:
Base-Base interactions energy: -63.314
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.088
local terms energy: -49.426284
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: 2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -86.316082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.316082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.316082 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -22.890
Base-Backbone interact. energy: -0.192
local terms energy: -56.844405
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: 0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -83.683064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.683064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.683064 (E_RNA)
where:
Base-Base interactions energy: -27.486
where: short stacking energy: -22.087
Base-Backbone interact. energy: -0.228
local terms energy: -55.969296
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -7.356
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: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -197.925909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.925909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.925909 (E_RNA)
where:
Base-Base interactions energy: -118.699
where: short stacking energy: -69.013
Base-Backbone interact. energy: -0.017
local terms energy: -79.209016
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -17.928
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: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -176.645156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645156 (E_RNA)
where:
Base-Base interactions energy: -111.422
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.502
local terms energy: -64.721018
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -193.537108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.537108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.537108 (E_RNA)
where:
Base-Base interactions energy: -122.565
where: short stacking energy: -69.024
Base-Backbone interact. energy: -0.431
local terms energy: -70.541799
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -18.444
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: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -180.896205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.896205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.896205 (E_RNA)
where:
Base-Base interactions energy: -112.186
where: short stacking energy: -54.948
Base-Backbone interact. energy: -0.225
local terms energy: -68.485503
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -163.551883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.551883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.551883 (E_RNA)
where:
Base-Base interactions energy: -93.108
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.010
local terms energy: -70.434377
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -106.157294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.157294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.157294 (E_RNA)
where:
Base-Base interactions energy: -39.489
where: short stacking energy: -39.489
Base-Backbone interact. energy: -0.022
local terms energy: -66.646888
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -151.850625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.850625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.850625 (E_RNA)
where:
Base-Base interactions energy: -84.109
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.147
local terms energy: -67.594228
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -91.821196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.821196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.821196 (E_RNA)
where:
Base-Base interactions energy: -43.841
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.971
local terms energy: -47.009431
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -0.154
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: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -88.623927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.623927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.623927 (E_RNA)
where:
Base-Base interactions energy: -31.690
where: short stacking energy: -20.259
Base-Backbone interact. energy: -0.213
local terms energy: -56.720564
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -85.219849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.219849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.219849 (E_RNA)
where:
Base-Base interactions energy: -32.986
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.010
local terms energy: -52.223665
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -185.413067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.413067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.413067 (E_RNA)
where:
Base-Base interactions energy: -115.235
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.158
local terms energy: -70.019172
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -188.027398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.027398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027398 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.202
local terms energy: -73.354441
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -174.477202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.477202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.477202 (E_RNA)
where:
Base-Base interactions energy: -108.569
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.170
local terms energy: -65.738508
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -174.862800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.862800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.862800 (E_RNA)
where:
Base-Base interactions energy: -106.411
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.283
local terms energy: -68.168357
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -154.325915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.325915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.325915 (E_RNA)
where:
Base-Base interactions energy: -96.771
where: short stacking energy: -46.042
Base-Backbone interact. energy: 1.812
local terms energy: -59.366634
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -5.563
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: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -120.021865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.021865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.021865 (E_RNA)
where:
Base-Base interactions energy: -62.526
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.301
local terms energy: -57.195161
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -147.355280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.355280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.355280 (E_RNA)
where:
Base-Base interactions energy: -87.871
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.214
local terms energy: -59.270871
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -142.655012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.655012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.655012 (E_RNA)
where:
Base-Base interactions energy: -83.611
where: short stacking energy: -49.172
Base-Backbone interact. energy: -0.282
local terms energy: -58.762280
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -125.120402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.120402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.120402 (E_RNA)
where:
Base-Base interactions energy: -66.295
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.169
local terms energy: -58.656615
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -6.120
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: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -82.148407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.148407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.148407 (E_RNA)
where:
Base-Base interactions energy: -32.809
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.140
local terms energy: -49.199142
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -182.553929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.553929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.553929 (E_RNA)
where:
Base-Base interactions energy: -108.414
where: short stacking energy: -65.586
Base-Backbone interact. energy: 0.370
local terms energy: -74.510841
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -192.330863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.330863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.330863 (E_RNA)
where:
Base-Base interactions energy: -107.474
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.004
local terms energy: -84.852270
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -12.171
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: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -173.046797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.046797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.046797 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.010
local terms energy: -63.536579
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -11.786
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: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -178.146888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.146888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.146888 (E_RNA)
where:
Base-Base interactions energy: -103.669
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.026
local terms energy: -74.451268
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -132.609957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.609957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.609957 (E_RNA)
where:
Base-Base interactions energy: -80.907
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.070
local terms energy: -51.633201
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -4.889
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: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -159.795353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.795353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.795353 (E_RNA)
where:
Base-Base interactions energy: -94.345
where: short stacking energy: -51.275
Base-Backbone interact. energy: -0.782
local terms energy: -64.668514
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -8.759
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -116.636831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.636831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.636831 (E_RNA)
where:
Base-Base interactions energy: -61.690
where: short stacking energy: -30.815
Base-Backbone interact. energy: -0.856
local terms energy: -54.090292
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -7.348
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -130.424899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.424899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.424899 (E_RNA)
where:
Base-Base interactions energy: -77.204
where: short stacking energy: -36.311
Base-Backbone interact. energy: -0.752
local terms energy: -52.469183
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -128.050129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.050129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.050129 (E_RNA)
where:
Base-Base interactions energy: -77.649
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.175
local terms energy: -50.226494
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -92.210399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.210399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.210399 (E_RNA)
where:
Base-Base interactions energy: -34.884
where: short stacking energy: -29.837
Base-Backbone interact. energy: 1.474
local terms energy: -58.799932
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -186.301346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.301346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.301346 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -70.561
Base-Backbone interact. energy: -0.044
local terms energy: -72.652751
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -10.338
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: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -186.975008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.975008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.975008 (E_RNA)
where:
Base-Base interactions energy: -107.530
where: short stacking energy: -64.405
Base-Backbone interact. energy: -0.005
local terms energy: -79.440341
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -193.678892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.678892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.678892 (E_RNA)
where:
Base-Base interactions energy: -114.604
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.164
local terms energy: -78.911098
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -172.014634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.014634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.014634 (E_RNA)
where:
Base-Base interactions energy: -102.724
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.214
local terms energy: -69.077177
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -164.736594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.736594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.736594 (E_RNA)
where:
Base-Base interactions energy: -94.561
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.107
local terms energy: -70.068257
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -129.888582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.888582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.888582 (E_RNA)
where:
Base-Base interactions energy: -74.474
where: short stacking energy: -35.385
Base-Backbone interact. energy: -0.363
local terms energy: -55.050996
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -148.107982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.107982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.107982 (E_RNA)
where:
Base-Base interactions energy: -76.811
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.107
local terms energy: -71.189756
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -9.559
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: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -103.036808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.036808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.036808 (E_RNA)
where:
Base-Base interactions energy: -51.384
where: short stacking energy: -42.732
Base-Backbone interact. energy: -0.221
local terms energy: -51.431732
where:
bonds (distance) C4'-P energy: -4.558
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -79.590033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.590033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.590033 (E_RNA)
where:
Base-Base interactions energy: -23.019
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.052
local terms energy: -56.519636
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -79.580469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.580469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.580469 (E_RNA)
where:
Base-Base interactions energy: -35.211
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.080
local terms energy: -44.290009
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -201.445418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.445418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.445418 (E_RNA)
where:
Base-Base interactions energy: -119.713
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.003
local terms energy: -81.728787
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -19.267
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: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -205.426115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.426115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.426115 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.761
local terms energy: -86.206129
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -175.076768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.076768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.076768 (E_RNA)
where:
Base-Base interactions energy: -104.636
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.159
local terms energy: -70.281723
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -183.129151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.129151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129151 (E_RNA)
where:
Base-Base interactions energy: -111.680
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.045
local terms energy: -71.404041
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.178
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: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -152.897716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.897716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.897716 (E_RNA)
where:
Base-Base interactions energy: -85.799
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.081
local terms energy: -67.017935
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -10.966
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: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -161.195028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.195028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.195028 (E_RNA)
where:
Base-Base interactions energy: -93.447
where: short stacking energy: -47.682
Base-Backbone interact. energy: -0.208
local terms energy: -67.539763
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -119.651498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.651498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.651498 (E_RNA)
where:
Base-Base interactions energy: -45.777
where: short stacking energy: -45.777
Base-Backbone interact. energy: 0.551
local terms energy: -74.425926
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -91.341639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.341639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.341639 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -29.633
Base-Backbone interact. energy: -0.119
local terms energy: -58.098419
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -94.184461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.184461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.184461 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.100
local terms energy: -53.800143
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -5.458
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: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -82.698479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.698479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.698479 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -26.466
Base-Backbone interact. energy: -0.716
local terms energy: -54.725174
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -202.857834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.857834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.857834 (E_RNA)
where:
Base-Base interactions energy: -124.404
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.098
local terms energy: -78.356047
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -180.238708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.238708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.238708 (E_RNA)
where:
Base-Base interactions energy: -110.260
where: short stacking energy: -58.531
Base-Backbone interact. energy: -0.107
local terms energy: -69.870970
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -194.000520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.000520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.000520 (E_RNA)
where:
Base-Base interactions energy: -116.833
where: short stacking energy: -69.320
Base-Backbone interact. energy: 0.007
local terms energy: -77.175135
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -17.885
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: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -149.432954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.432954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.432954 (E_RNA)
where:
Base-Base interactions energy: -87.541
where: short stacking energy: -50.475
Base-Backbone interact. energy: -0.097
local terms energy: -61.794900
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -8.922
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: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -158.705128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.705128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.705128 (E_RNA)
where:
Base-Base interactions energy: -93.215
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.229
local terms energy: -65.261131
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -155.033639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.033639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.033639 (E_RNA)
where:
Base-Base interactions energy: -98.209
where: short stacking energy: -54.917
Base-Backbone interact. energy: 1.728
local terms energy: -58.552747
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -14.209
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: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -117.192777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.192777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.192777 (E_RNA)
where:
Base-Base interactions energy: -64.445
where: short stacking energy: -38.208
Base-Backbone interact. energy: -0.031
local terms energy: -52.716727
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -5.618
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: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -84.829189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829189 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -29.485
Base-Backbone interact. energy: -0.287
local terms energy: -52.880807
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.693
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: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -96.874939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.874939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.874939 (E_RNA)
where:
Base-Base interactions energy: -48.403
where: short stacking energy: -25.418
Base-Backbone interact. energy: -0.451
local terms energy: -48.021322
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -1.167
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: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.994999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.994999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.994999 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.194
local terms energy: -55.608044
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -197.720391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.720391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.720391 (E_RNA)
where:
Base-Base interactions energy: -119.642
where: short stacking energy: -73.410
Base-Backbone interact. energy: -0.009
local terms energy: -78.068926
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -184.866255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.866255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.866255 (E_RNA)
where:
Base-Base interactions energy: -111.369
where: short stacking energy: -66.996
Base-Backbone interact. energy: -0.050
local terms energy: -73.447319
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -194.407781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.407781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.407781 (E_RNA)
where:
Base-Base interactions energy: -115.284
where: short stacking energy: -57.523
Base-Backbone interact. energy: -0.144
local terms energy: -78.979758
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -162.675949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.675949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.675949 (E_RNA)
where:
Base-Base interactions energy: -96.566
where: short stacking energy: -51.678
Base-Backbone interact. energy: -0.113
local terms energy: -65.996689
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -12.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -149.537883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.537883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.537883 (E_RNA)
where:
Base-Base interactions energy: -82.985
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.284
local terms energy: -66.269284
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -11.341
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -140.004908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.004908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.004908 (E_RNA)
where:
Base-Base interactions energy: -81.714
where: short stacking energy: -49.972
Base-Backbone interact. energy: -0.704
local terms energy: -57.587265
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -146.185892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.185892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.185892 (E_RNA)
where:
Base-Base interactions energy: -80.731
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.132
local terms energy: -65.323299
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -2.583
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: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -96.084276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.084276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.084276 (E_RNA)
where:
Base-Base interactions energy: -33.550
where: short stacking energy: -33.550
Base-Backbone interact. energy: -0.113
local terms energy: -62.420955
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -96.654897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.654897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.654897 (E_RNA)
where:
Base-Base interactions energy: -33.941
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.178
local terms energy: -62.535967
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -80.701367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701367 (E_RNA)
where:
Base-Base interactions energy: -25.470
where: short stacking energy: -18.830
Base-Backbone interact. energy: -0.558
local terms energy: -54.673827
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -13.863
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: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -207.213066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.213066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.213066 (E_RNA)
where:
Base-Base interactions energy: -122.348
where: short stacking energy: -77.131
Base-Backbone interact. energy: -0.895
local terms energy: -83.970297
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -13.262
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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -187.186717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.186717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.186717 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -63.092
Base-Backbone interact. energy: -0.749
local terms energy: -63.739624
where:
bonds (distance) C4'-P energy: -5.565
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -13.002
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: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -176.046237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.046237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.046237 (E_RNA)
where:
Base-Base interactions energy: -106.987
where: short stacking energy: -61.491
Base-Backbone interact. energy: 0.488
local terms energy: -69.546602
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.789
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: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -184.647009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.647009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.647009 (E_RNA)
where:
Base-Base interactions energy: -112.826
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.116
local terms energy: -71.704758
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -156.108885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.108885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.108885 (E_RNA)
where:
Base-Base interactions energy: -97.825
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.043
local terms energy: -58.240654
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -7.227
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -136.141077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.141077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.141077 (E_RNA)
where:
Base-Base interactions energy: -82.565
where: short stacking energy: -44.103
Base-Backbone interact. energy: 1.122
local terms energy: -54.698305
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -8.198
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: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -153.181386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.181386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.181386 (E_RNA)
where:
Base-Base interactions energy: -107.998
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.034
local terms energy: -45.149443
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -7.577
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -7.875
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: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -98.398699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.398699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.398699 (E_RNA)
where:
Base-Base interactions energy: -53.259
where: short stacking energy: -47.824
Base-Backbone interact. energy: 0.154
local terms energy: -45.293619
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: 0.515
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -78.974938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.974938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.974938 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -18.296
Base-Backbone interact. energy: 1.351
local terms energy: -47.654131
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -86.523369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523369 (E_RNA)
where:
Base-Base interactions energy: -28.919
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.079
local terms energy: -57.525723
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -6.926
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: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -200.833563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.833563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.833563 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.221
local terms energy: -81.496201
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.027
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: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -197.543382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.543382 (E_RNA)
where:
Base-Base interactions energy: -112.099
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.006
local terms energy: -85.438433
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -182.557711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.557711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.557711 (E_RNA)
where:
Base-Base interactions energy: -112.463
where: short stacking energy: -52.557
Base-Backbone interact. energy: -1.278
local terms energy: -68.816967
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -14.929
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: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -165.687722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.687722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.687722 (E_RNA)
where:
Base-Base interactions energy: -101.676
where: short stacking energy: -55.705
Base-Backbone interact. energy: -0.050
local terms energy: -63.962432
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -163.959709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.959709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.959709 (E_RNA)
where:
Base-Base interactions energy: -100.748
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.124
local terms energy: -63.087528
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -161.688259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.688259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.688259 (E_RNA)
where:
Base-Base interactions energy: -96.818
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.313
local terms energy: -64.556870
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -124.175959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.175959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.175959 (E_RNA)
where:
Base-Base interactions energy: -68.846
where: short stacking energy: -32.200
Base-Backbone interact. energy: -0.122
local terms energy: -55.207936
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -95.423328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.423328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.423328 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.129
local terms energy: -62.464883
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -87.127174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.127174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.127174 (E_RNA)
where:
Base-Base interactions energy: -35.171
where: short stacking energy: -19.447
Base-Backbone interact. energy: -0.063
local terms energy: -51.893527
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -78.903778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.903778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.903778 (E_RNA)
where:
Base-Base interactions energy: -28.998
where: short stacking energy: -28.998
Base-Backbone interact. energy: -0.223
local terms energy: -49.682824
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -192.534591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.534591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.534591 (E_RNA)
where:
Base-Base interactions energy: -110.131
where: short stacking energy: -66.623
Base-Backbone interact. energy: -0.002
local terms energy: -82.402009
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -192.315826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.315826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.315826 (E_RNA)
where:
Base-Base interactions energy: -114.872
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.066
local terms energy: -77.378532
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -188.231525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.231525 (E_RNA)
where:
Base-Base interactions energy: -122.322
where: short stacking energy: -70.084
Base-Backbone interact. energy: -0.198
local terms energy: -65.711391
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -185.757118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.757118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.757118 (E_RNA)
where:
Base-Base interactions energy: -110.937
where: short stacking energy: -67.013
Base-Backbone interact. energy: 0.397
local terms energy: -75.217054
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -164.831761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.831761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.831761 (E_RNA)
where:
Base-Base interactions energy: -97.938
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.129
local terms energy: -66.764238
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -156.578238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.578238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.578238 (E_RNA)
where:
Base-Base interactions energy: -87.894
where: short stacking energy: -50.012
Base-Backbone interact. energy: -0.171
local terms energy: -68.512635
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -5.376
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: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -103.729921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.729921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.729921 (E_RNA)
where:
Base-Base interactions energy: -46.729
where: short stacking energy: -35.108
Base-Backbone interact. energy: -0.129
local terms energy: -56.871648
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -118.212359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.212359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.212359 (E_RNA)
where:
Base-Base interactions energy: -66.027
where: short stacking energy: -31.875
Base-Backbone interact. energy: 0.261
local terms energy: -52.446546
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -76.578876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.578876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.578876 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -14.437
Base-Backbone interact. energy: 0.053
local terms energy: -45.286283
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: 3.984
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: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -76.431026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.431026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.431026 (E_RNA)
where:
Base-Base interactions energy: -24.375
where: short stacking energy: -24.013
Base-Backbone interact. energy: -0.219
local terms energy: -51.837439
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.673
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: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -186.677588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.677588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.677588 (E_RNA)
where:
Base-Base interactions energy: -106.611
where: short stacking energy: -63.088
Base-Backbone interact. energy: -0.100
local terms energy: -79.966755
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -194.696853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.696853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.696853 (E_RNA)
where:
Base-Base interactions energy: -117.020
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.584
local terms energy: -77.093003
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -176.288691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.288691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.288691 (E_RNA)
where:
Base-Base interactions energy: -109.649
where: short stacking energy: -58.511
Base-Backbone interact. energy: -0.029
local terms energy: -66.610880
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -183.238897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.238897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.238897 (E_RNA)
where:
Base-Base interactions energy: -112.089
where: short stacking energy: -57.598
Base-Backbone interact. energy: -0.258
local terms energy: -70.892193
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -162.597932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.597932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.597932 (E_RNA)
where:
Base-Base interactions energy: -96.972
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.197
local terms energy: -65.429361
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -14.003
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: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -132.337139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.337139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.337139 (E_RNA)
where:
Base-Base interactions energy: -65.523
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.010
local terms energy: -66.803286
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -92.935395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.935395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.935395 (E_RNA)
where:
Base-Base interactions energy: -35.051
where: short stacking energy: -35.051
Base-Backbone interact. energy: 1.319
local terms energy: -59.203546
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -6.763
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -84.818414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.818414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.818414 (E_RNA)
where:
Base-Base interactions energy: -26.686
where: short stacking energy: -25.285
Base-Backbone interact. energy: -0.056
local terms energy: -58.076031
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -91.087666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.087666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.087666 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -27.312
Base-Backbone interact. energy: 1.716
local terms energy: -51.192235
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -83.416726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.416726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.416726 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -29.145
Base-Backbone interact. energy: -0.186
local terms energy: -53.859523
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -210.617430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.617430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.617430 (E_RNA)
where:
Base-Base interactions energy: -123.381
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.001
local terms energy: -87.236105
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -179.238265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.238265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.238265 (E_RNA)
where:
Base-Base interactions energy: -110.632
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.056
local terms energy: -68.550700
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -11.361
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -190.703268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.703268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.703268 (E_RNA)
where:
Base-Base interactions energy: -115.756
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.004
local terms energy: -74.943007
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -171.820889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.820889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.820889 (E_RNA)
where:
Base-Base interactions energy: -102.934
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.029
local terms energy: -68.857881
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -167.793630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.793630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.793630 (E_RNA)
where:
Base-Base interactions energy: -101.460
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.046
local terms energy: -66.288084
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -10.757
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: 370
Temperature: 1.150000
Total energy: -132.671688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.671688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.671688 (E_RNA)
where:
Base-Base interactions energy: -64.840
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.021
local terms energy: -67.811063
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -11.215
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: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -87.673991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.673991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.673991 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -24.508
Base-Backbone interact. energy: -0.141
local terms energy: -52.416102
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -7.321
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: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -93.328376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328376 (E_RNA)
where:
Base-Base interactions energy: -48.665
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.239
local terms energy: -44.424532
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -90.955124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.955124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.955124 (E_RNA)
where:
Base-Base interactions energy: -38.754
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.127
local terms energy: -52.073176
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -3.758
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: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -98.838628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.838628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.838628 (E_RNA)
where:
Base-Base interactions energy: -53.255
where: short stacking energy: -24.844
Base-Backbone interact. energy: -0.250
local terms energy: -45.333206
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -6.385
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -201.461507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.461507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.461507 (E_RNA)
where:
Base-Base interactions energy: -116.381
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.394
local terms energy: -84.686447
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -183.217678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.217678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.217678 (E_RNA)
where:
Base-Base interactions energy: -114.128
where: short stacking energy: -57.122
Base-Backbone interact. energy: -0.102
local terms energy: -68.988254
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -173.038975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.038975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.038975 (E_RNA)
where:
Base-Base interactions energy: -100.831
where: short stacking energy: -65.064
Base-Backbone interact. energy: 1.033
local terms energy: -73.240540
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -176.134561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.134561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.134561 (E_RNA)
where:
Base-Base interactions energy: -103.690
where: short stacking energy: -61.612
Base-Backbone interact. energy: -1.138
local terms energy: -71.307014
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -154.656569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.656569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.656569 (E_RNA)
where:
Base-Base interactions energy: -93.363
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.041
local terms energy: -61.252337
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -117.164738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.164738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.164738 (E_RNA)
where:
Base-Base interactions energy: -59.507
where: short stacking energy: -39.723
Base-Backbone interact. energy: -0.006
local terms energy: -57.651685
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -7.651
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -129.091445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.091445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.091445 (E_RNA)
where:
Base-Base interactions energy: -70.752
where: short stacking energy: -42.434
Base-Backbone interact. energy: -0.010
local terms energy: -58.329042
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -9.151
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: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -91.814491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.814491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.814491 (E_RNA)
where:
Base-Base interactions energy: -43.278
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.024
local terms energy: -48.512938
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -7.257
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -95.021425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.021425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.021425 (E_RNA)
where:
Base-Base interactions energy: -39.528
where: short stacking energy: -39.102
Base-Backbone interact. energy: -0.538
local terms energy: -54.954767
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -100.644100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.644100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.644100 (E_RNA)
where:
Base-Base interactions energy: -44.857
where: short stacking energy: -44.857
Base-Backbone interact. energy: -0.223
local terms energy: -55.563425
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -198.032797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.032797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.032797 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.010
local terms energy: -80.519434
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -187.565380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.565380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565380 (E_RNA)
where:
Base-Base interactions energy: -109.235
where: short stacking energy: -62.309
Base-Backbone interact. energy: -0.107
local terms energy: -78.224268
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -184.666224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.666224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.666224 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.025
local terms energy: -73.905206
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -18.424
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -172.217087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.217087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.217087 (E_RNA)
where:
Base-Base interactions energy: -101.754
where: short stacking energy: -60.755
Base-Backbone interact. energy: -0.000
local terms energy: -70.462272
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -162.195744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.195744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.195744 (E_RNA)
where:
Base-Base interactions energy: -95.466
where: short stacking energy: -51.158
Base-Backbone interact. energy: -0.106
local terms energy: -66.623601
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -125.853450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.853450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.853450 (E_RNA)
where:
Base-Base interactions energy: -66.462
where: short stacking energy: -39.279
Base-Backbone interact. energy: -0.094
local terms energy: -59.297439
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -96.994386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.994386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.994386 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -36.924
Base-Backbone interact. energy: -0.059
local terms energy: -59.337668
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -105.811818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.811818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.811818 (E_RNA)
where:
Base-Base interactions energy: -52.063
where: short stacking energy: -27.139
Base-Backbone interact. energy: -0.168
local terms energy: -53.580435
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -2.814
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: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -88.124133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.124133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.124133 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.042
local terms energy: -51.109464
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.954
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: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -74.493111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.493111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.493111 (E_RNA)
where:
Base-Base interactions energy: -27.203
where: short stacking energy: -27.203
Base-Backbone interact. energy: -0.037
local terms energy: -47.253684
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -201.774235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774235 (E_RNA)
where:
Base-Base interactions energy: -121.064
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.010
local terms energy: -80.700107
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -201.045447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.045447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.045447 (E_RNA)
where:
Base-Base interactions energy: -128.684
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.002
local terms energy: -72.359607
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -15.675
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: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -176.857209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.857209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.857209 (E_RNA)
where:
Base-Base interactions energy: -100.337
where: short stacking energy: -58.929
Base-Backbone interact. energy: -0.010
local terms energy: -76.510375
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -13.202
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: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -176.501048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.501048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.501048 (E_RNA)
where:
Base-Base interactions energy: -100.640
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.123
local terms energy: -75.737966
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -151.098753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.098753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.098753 (E_RNA)
where:
Base-Base interactions energy: -91.213
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.098
local terms energy: -59.788326
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -90.135888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.135888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.135888 (E_RNA)
where:
Base-Base interactions energy: -28.948
where: short stacking energy: -28.948
Base-Backbone interact. energy: 0.583
local terms energy: -61.771651
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -4.417
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: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -103.564170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.564170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.564170 (E_RNA)
where:
Base-Base interactions energy: -43.152
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.216
local terms energy: -60.196157
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.166
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: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -98.177077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.177077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.177077 (E_RNA)
where:
Base-Base interactions energy: -41.557
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.435
local terms energy: -56.185637
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -88.280061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.280061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.280061 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -40.330
Base-Backbone interact. energy: 0.453
local terms energy: -48.403034
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -5.828
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.064711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.064711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.064711 (E_RNA)
where:
Base-Base interactions energy: -30.015
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.047
local terms energy: -47.003336
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -2.291
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: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -195.328493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.328493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.328493 (E_RNA)
where:
Base-Base interactions energy: -118.351
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.262
local terms energy: -76.715122
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -198.834383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.834383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.834383 (E_RNA)
where:
Base-Base interactions energy: -114.710
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.009
local terms energy: -84.116073
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -173.700706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.700706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.700706 (E_RNA)
where:
Base-Base interactions energy: -101.399
where: short stacking energy: -59.867
Base-Backbone interact. energy: -0.310
local terms energy: -71.992111
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -10.261
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: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -169.268929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268929 (E_RNA)
where:
Base-Base interactions energy: -98.905
where: short stacking energy: -60.666
Base-Backbone interact. energy: -0.500
local terms energy: -69.863463
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -169.883577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.883577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.883577 (E_RNA)
where:
Base-Base interactions energy: -95.651
where: short stacking energy: -52.726
Base-Backbone interact. energy: -0.109
local terms energy: -74.123093
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -118.365412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.365412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.365412 (E_RNA)
where:
Base-Base interactions energy: -58.926
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.116
local terms energy: -59.324253
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -95.809552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.809552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.809552 (E_RNA)
where:
Base-Base interactions energy: -37.786
where: short stacking energy: -37.786
Base-Backbone interact. energy: -0.135
local terms energy: -57.888111
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -97.135953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.135953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.135953 (E_RNA)
where:
Base-Base interactions energy: -42.263
where: short stacking energy: -42.263
Base-Backbone interact. energy: -0.162
local terms energy: -54.711019
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -11.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -82.832525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.832525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.832525 (E_RNA)
where:
Base-Base interactions energy: -34.782
where: short stacking energy: -34.604
Base-Backbone interact. energy: -0.095
local terms energy: -47.955589
where:
bonds (distance) C4'-P energy: -5.996
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -85.258898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.258898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.258898 (E_RNA)
where:
Base-Base interactions energy: -38.031
where: short stacking energy: -27.714
Base-Backbone interact. energy: 0.008
local terms energy: -47.235779
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -182.602408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.602408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.602408 (E_RNA)
where:
Base-Base interactions energy: -106.699
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.002
local terms energy: -75.901312
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -194.708660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.708660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708660 (E_RNA)
where:
Base-Base interactions energy: -116.975
where: short stacking energy: -71.300
Base-Backbone interact. energy: -0.005
local terms energy: -77.728558
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -181.732756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.732756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.732756 (E_RNA)
where:
Base-Base interactions energy: -107.686
where: short stacking energy: -66.101
Base-Backbone interact. energy: 0.054
local terms energy: -74.100115
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -175.366406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.366406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.366406 (E_RNA)
where:
Base-Base interactions energy: -105.260
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.020
local terms energy: -70.086742
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -166.653736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.653736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.653736 (E_RNA)
where:
Base-Base interactions energy: -95.060
where: short stacking energy: -54.039
Base-Backbone interact. energy: -0.249
local terms energy: -71.345133
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -12.469
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: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -102.753234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.753234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.753234 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.323
local terms energy: -60.822830
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -8.478
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: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -97.556204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.556204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.556204 (E_RNA)
where:
Base-Base interactions energy: -37.579
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.164
local terms energy: -59.813590
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -102.019806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.019806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.019806 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -38.680
Base-Backbone interact. energy: -0.027
local terms energy: -63.313039
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -90.712836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.712836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.712836 (E_RNA)
where:
Base-Base interactions energy: -39.836
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.034
local terms energy: -50.842708
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -82.641828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641828 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.544
local terms energy: -48.219960
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -1.136
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: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -195.845161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.845161 (E_RNA)
where:
Base-Base interactions energy: -118.281
where: short stacking energy: -75.297
Base-Backbone interact. energy: -0.007
local terms energy: -77.557664
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -21.740
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: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -175.638840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.638840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.638840 (E_RNA)
where:
Base-Base interactions energy: -96.140
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.069
local terms energy: -79.429869
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -175.645649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.645649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.645649 (E_RNA)
where:
Base-Base interactions energy: -100.499
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.201
local terms energy: -74.945363
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -170.531166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.531166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.531166 (E_RNA)
where:
Base-Base interactions energy: -96.945
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.216
local terms energy: -73.369377
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -13.130
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -158.062158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.062158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.062158 (E_RNA)
where:
Base-Base interactions energy: -89.347
where: short stacking energy: -48.784
Base-Backbone interact. energy: 0.382
local terms energy: -69.097019
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -11.836
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: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -99.286508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.286508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.286508 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.013
local terms energy: -58.187895
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -105.732787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.732787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.732787 (E_RNA)
where:
Base-Base interactions energy: -45.030
where: short stacking energy: -43.540
Base-Backbone interact. energy: -0.089
local terms energy: -60.614001
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -95.625492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.625492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.625492 (E_RNA)
where:
Base-Base interactions energy: -49.750
where: short stacking energy: -37.907
Base-Backbone interact. energy: 0.825
local terms energy: -46.700081
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -4.109
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -83.887126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.887126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.887126 (E_RNA)
where:
Base-Base interactions energy: -40.057
where: short stacking energy: -40.057
Base-Backbone interact. energy: -0.142
local terms energy: -43.688001
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -102.240062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.240062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.240062 (E_RNA)
where:
Base-Base interactions energy: -52.251
where: short stacking energy: -23.351
Base-Backbone interact. energy: 0.571
local terms energy: -50.560189
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -191.521164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.521164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.521164 (E_RNA)
where:
Base-Base interactions energy: -111.934
where: short stacking energy: -68.943
Base-Backbone interact. energy: -0.009
local terms energy: -79.577856
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -178.264386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.264386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.264386 (E_RNA)
where:
Base-Base interactions energy: -99.774
where: short stacking energy: -57.112
Base-Backbone interact. energy: -1.248
local terms energy: -77.242193
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -16.729
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: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -185.604591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.604591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.604591 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.045
local terms energy: -72.706728
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -19.181
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: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -165.461007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.461007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.461007 (E_RNA)
where:
Base-Base interactions energy: -96.137
where: short stacking energy: -55.679
Base-Backbone interact. energy: 0.434
local terms energy: -69.758334
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -10.312
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -152.902527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.902527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.902527 (E_RNA)
where:
Base-Base interactions energy: -89.483
where: short stacking energy: -47.328
Base-Backbone interact. energy: -0.012
local terms energy: -63.407387
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -10.597
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: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -103.431285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.431285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.431285 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -36.632
Base-Backbone interact. energy: -0.005
local terms energy: -66.793914
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -10.953
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: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -101.227912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.227912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.227912 (E_RNA)
where:
Base-Base interactions energy: -41.226
where: short stacking energy: -41.222
Base-Backbone interact. energy: -0.053
local terms energy: -59.949629
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -107.371060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.371060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.371060 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -41.558
Base-Backbone interact. energy: -0.110
local terms energy: -65.702935
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -14.343
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: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -78.249798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.249798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.249798 (E_RNA)
where:
Base-Base interactions energy: -25.398
where: short stacking energy: -22.816
Base-Backbone interact. energy: -0.158
local terms energy: -52.693930
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -88.422289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.422289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.422289 (E_RNA)
where:
Base-Base interactions energy: -35.960
where: short stacking energy: -23.599
Base-Backbone interact. energy: -0.553
local terms energy: -51.909869
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -183.706143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.706143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.706143 (E_RNA)
where:
Base-Base interactions energy: -116.496
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.273
local terms energy: -66.936585
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -13.775
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: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -189.157009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.157009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.157009 (E_RNA)
where:
Base-Base interactions energy: -113.821
where: short stacking energy: -72.030
Base-Backbone interact. energy: -0.036
local terms energy: -75.299892
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -173.003944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.003944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.003944 (E_RNA)
where:
Base-Base interactions energy: -99.219
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.013
local terms energy: -73.771772
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -179.536015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.536015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.536015 (E_RNA)
where:
Base-Base interactions energy: -108.517
where: short stacking energy: -64.294
Base-Backbone interact. energy: -0.767
local terms energy: -70.251961
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -15.441
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: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -132.708983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.708983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.708983 (E_RNA)
where:
Base-Base interactions energy: -53.457
where: short stacking energy: -53.457
Base-Backbone interact. energy: 0.191
local terms energy: -79.442933
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -163.783537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.783537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.783537 (E_RNA)
where:
Base-Base interactions energy: -95.057
where: short stacking energy: -49.676
Base-Backbone interact. energy: -0.138
local terms energy: -68.588602
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -13.957
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: 378
Temperature: 1.200000
Total energy: -90.144867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.144867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.144867 (E_RNA)
where:
Base-Base interactions energy: -32.662
where: short stacking energy: -31.725
Base-Backbone interact. energy: -0.159
local terms energy: -57.324064
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -88.197941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197941 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -30.259
Base-Backbone interact. energy: -1.329
local terms energy: -54.805073
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -0.321
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: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -86.195616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.195616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.195616 (E_RNA)
where:
Base-Base interactions energy: -31.517
where: short stacking energy: -25.923
Base-Backbone interact. energy: 0.982
local terms energy: -55.660520
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -8.007
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: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.076390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.076390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.076390 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.127
local terms energy: -52.072933
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -195.132064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.132064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.132064 (E_RNA)
where:
Base-Base interactions energy: -120.126
where: short stacking energy: -72.265
Base-Backbone interact. energy: -0.001
local terms energy: -75.004907
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -182.959834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.959834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.959834 (E_RNA)
where:
Base-Base interactions energy: -106.628
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.256
local terms energy: -76.075833
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.244
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: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -171.725658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.725658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.725658 (E_RNA)
where:
Base-Base interactions energy: -99.149
where: short stacking energy: -59.333
Base-Backbone interact. energy: -0.005
local terms energy: -72.571376
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -170.176051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.176051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.176051 (E_RNA)
where:
Base-Base interactions energy: -105.359
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.021
local terms energy: -64.795846
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -5.134
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: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -120.062652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.062652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.062652 (E_RNA)
where:
Base-Base interactions energy: -53.614
where: short stacking energy: -51.956
Base-Backbone interact. energy: 0.056
local terms energy: -66.504168
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -159.840097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.840097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.840097 (E_RNA)
where:
Base-Base interactions energy: -100.734
where: short stacking energy: -55.219
Base-Backbone interact. energy: -0.345
local terms energy: -58.761511
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -106.038532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.038532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.038532 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -42.248
Base-Backbone interact. energy: -0.014
local terms energy: -63.775889
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -92.332237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332237 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.265
local terms energy: -54.134329
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -87.245836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.245836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.245836 (E_RNA)
where:
Base-Base interactions energy: -28.212
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.234
local terms energy: -58.800038
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -83.187433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.187433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.187433 (E_RNA)
where:
Base-Base interactions energy: -34.935
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.175
local terms energy: -48.077763
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -3.222
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: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -193.755805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.755805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.755805 (E_RNA)
where:
Base-Base interactions energy: -108.781
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.001
local terms energy: -84.973683
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -193.116900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.116900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.116900 (E_RNA)
where:
Base-Base interactions energy: -111.050
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.033
local terms energy: -82.034166
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -177.724874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.724874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.724874 (E_RNA)
where:
Base-Base interactions energy: -104.935
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.798
local terms energy: -71.991836
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -19.770
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: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -179.466145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.466145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.466145 (E_RNA)
where:
Base-Base interactions energy: -104.435
where: short stacking energy: -65.416
Base-Backbone interact. energy: 0.886
local terms energy: -75.917044
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -155.839783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.839783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.839783 (E_RNA)
where:
Base-Base interactions energy: -90.146
where: short stacking energy: -46.495
Base-Backbone interact. energy: -0.129
local terms energy: -65.564790
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -109.892273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.892273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.892273 (E_RNA)
where:
Base-Base interactions energy: -41.448
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.043
local terms energy: -68.401383
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -96.024942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.024942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.024942 (E_RNA)
where:
Base-Base interactions energy: -54.425
where: short stacking energy: -19.201
Base-Backbone interact. energy: -0.296
local terms energy: -41.304443
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -6.787
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -93.911130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.911130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.911130 (E_RNA)
where:
Base-Base interactions energy: -36.365
where: short stacking energy: -36.365
Base-Backbone interact. energy: -0.066
local terms energy: -57.480187
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -89.641536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641536 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -40.808
Base-Backbone interact. energy: -0.113
local terms energy: -48.720474
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -84.265169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.265169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.265169 (E_RNA)
where:
Base-Base interactions energy: -45.823
where: short stacking energy: -33.599
Base-Backbone interact. energy: 0.288
local terms energy: -38.729813
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -192.269291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.269291 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.038
local terms energy: -75.240760
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -183.122151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.122151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.122151 (E_RNA)
where:
Base-Base interactions energy: -105.541
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.083
local terms energy: -77.498406
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -8.363
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: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -175.901720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.901720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901720 (E_RNA)
where:
Base-Base interactions energy: -96.252
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.057
local terms energy: -79.592889
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -17.768
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -165.260584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.260584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.260584 (E_RNA)
where:
Base-Base interactions energy: -96.461
where: short stacking energy: -48.439
Base-Backbone interact. energy: -0.165
local terms energy: -68.635309
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.105
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: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -177.018681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.018681 (E_RNA)
where:
Base-Base interactions energy: -107.222
where: short stacking energy: -65.531
Base-Backbone interact. energy: -0.102
local terms energy: -69.694877
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -95.540395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.540395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.540395 (E_RNA)
where:
Base-Base interactions energy: -39.695
where: short stacking energy: -39.492
Base-Backbone interact. energy: -0.466
local terms energy: -55.378951
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -175.877489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.877489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.877489 (E_RNA)
where:
Base-Base interactions energy: -102.817
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.982
local terms energy: -72.078715
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.559
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: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -97.851582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.851582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.851582 (E_RNA)
where:
Base-Base interactions energy: -49.870
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.062
local terms energy: -47.919971
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -95.953885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.953885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.953885 (E_RNA)
where:
Base-Base interactions energy: -33.503
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.047
local terms energy: -62.403813
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -86.896179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896179 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -27.687
Base-Backbone interact. energy: 0.280
local terms energy: -47.735714
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -190.214361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.214361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.214361 (E_RNA)
where:
Base-Base interactions energy: -114.652
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.246
local terms energy: -75.316495
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.945
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -185.233598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.233598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.233598 (E_RNA)
where:
Base-Base interactions energy: -104.479
where: short stacking energy: -67.144
Base-Backbone interact. energy: -0.032
local terms energy: -80.721963
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -19.848
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: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -170.285463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.285463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.285463 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.839
local terms energy: -65.811635
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -180.099824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.099824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.099824 (E_RNA)
where:
Base-Base interactions energy: -104.429
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.184
local terms energy: -75.486944
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -188.733983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.733983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.733983 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -73.858
Base-Backbone interact. energy: 0.526
local terms energy: -74.691348
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -169.998448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.998448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.998448 (E_RNA)
where:
Base-Base interactions energy: -99.044
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.007
local terms energy: -70.947168
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -159.547039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.547039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.547039 (E_RNA)
where:
Base-Base interactions energy: -92.295
where: short stacking energy: -50.901
Base-Backbone interact. energy: -0.102
local terms energy: -67.149353
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -103.379145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.379145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.379145 (E_RNA)
where:
Base-Base interactions energy: -44.902
where: short stacking energy: -44.902
Base-Backbone interact. energy: -0.024
local terms energy: -58.453738
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -97.937935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.937935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.937935 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.121
local terms energy: -56.655189
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -85.128344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128344 (E_RNA)
where:
Base-Base interactions energy: -23.269
where: short stacking energy: -23.269
Base-Backbone interact. energy: -0.184
local terms energy: -61.674831
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.920
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: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -183.879447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.879447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.879447 (E_RNA)
where:
Base-Base interactions energy: -105.808
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.570
local terms energy: -77.501803
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -169.169237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.169237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.169237 (E_RNA)
where:
Base-Base interactions energy: -94.222
where: short stacking energy: -53.253
Base-Backbone interact. energy: -0.071
local terms energy: -74.876914
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -15.035
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: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -172.945817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.945817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.945817 (E_RNA)
where:
Base-Base interactions energy: -102.542
where: short stacking energy: -61.638
Base-Backbone interact. energy: -0.044
local terms energy: -70.359468
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -175.988641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.988641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.988641 (E_RNA)
where:
Base-Base interactions energy: -104.603
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.638
local terms energy: -70.747685
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.107
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -161.689920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.689920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.689920 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.126
local terms energy: -67.015144
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -156.672766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.672766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.672766 (E_RNA)
where:
Base-Base interactions energy: -92.951
where: short stacking energy: -46.992
Base-Backbone interact. energy: -0.115
local terms energy: -63.606134
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -155.933462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.933462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.933462 (E_RNA)
where:
Base-Base interactions energy: -97.032
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.177
local terms energy: -58.724347
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -13.141
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: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -102.714595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.714595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.714595 (E_RNA)
where:
Base-Base interactions energy: -47.456
where: short stacking energy: -29.883
Base-Backbone interact. energy: 1.227
local terms energy: -56.485569
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -88.958975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.958975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.958975 (E_RNA)
where:
Base-Base interactions energy: -28.035
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.237
local terms energy: -60.686915
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -86.038026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.038026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.038026 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.047
local terms energy: -49.531581
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -5.801
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: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -207.181247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.181247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.181247 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -72.077
Base-Backbone interact. energy: -0.284
local terms energy: -77.161521
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -19.909
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: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -176.588239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.588239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.588239 (E_RNA)
where:
Base-Base interactions energy: -97.192
where: short stacking energy: -49.878
Base-Backbone interact. energy: -0.133
local terms energy: -79.262476
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -173.744170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.744170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.744170 (E_RNA)
where:
Base-Base interactions energy: -105.382
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.005
local terms energy: -68.357184
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -177.663328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.663328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.663328 (E_RNA)
where:
Base-Base interactions energy: -104.612
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.006
local terms energy: -73.044823
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -159.560577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.560577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.560577 (E_RNA)
where:
Base-Base interactions energy: -83.800
where: short stacking energy: -48.527
Base-Backbone interact. energy: -0.184
local terms energy: -75.577343
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -147.518509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.518509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.518509 (E_RNA)
where:
Base-Base interactions energy: -88.077
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.230
local terms energy: -59.211182
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -153.407310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.407310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.407310 (E_RNA)
where:
Base-Base interactions energy: -88.896
where: short stacking energy: -50.720
Base-Backbone interact. energy: 0.049
local terms energy: -64.559693
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -121.479211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.479211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.479211 (E_RNA)
where:
Base-Base interactions energy: -65.125
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.130
local terms energy: -56.223856
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -85.377079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.377079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.377079 (E_RNA)
where:
Base-Base interactions energy: -34.163
where: short stacking energy: -21.906
Base-Backbone interact. energy: -0.486
local terms energy: -50.728912
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -92.332309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332309 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -31.445
Base-Backbone interact. energy: 0.340
local terms energy: -54.870015
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -204.269442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.269442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.269442 (E_RNA)
where:
Base-Base interactions energy: -127.731
where: short stacking energy: -70.688
Base-Backbone interact. energy: -0.024
local terms energy: -76.514419
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -187.009144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.009144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.009144 (E_RNA)
where:
Base-Base interactions energy: -114.032
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.598
local terms energy: -72.379246
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -186.198979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198979 (E_RNA)
where:
Base-Base interactions energy: -108.448
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.186
local terms energy: -77.565326
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -21.962
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: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -180.812917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.812917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.812917 (E_RNA)
where:
Base-Base interactions energy: -109.222
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.039
local terms energy: -71.551563
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -18.892
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: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -155.091599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.091599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.091599 (E_RNA)
where:
Base-Base interactions energy: -93.134
where: short stacking energy: -48.039
Base-Backbone interact. energy: -0.106
local terms energy: -61.851478
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -155.521775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.521775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.521775 (E_RNA)
where:
Base-Base interactions energy: -91.194
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.570
local terms energy: -63.757475
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -152.551502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.551502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.551502 (E_RNA)
where:
Base-Base interactions energy: -83.355
where: short stacking energy: -44.850
Base-Backbone interact. energy: 0.061
local terms energy: -69.257624
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -118.715475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.715475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.715475 (E_RNA)
where:
Base-Base interactions energy: -70.898
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.313
local terms energy: -47.504491
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -90.561246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.561246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.561246 (E_RNA)
where:
Base-Base interactions energy: -46.614
where: short stacking energy: -23.295
Base-Backbone interact. energy: 0.417
local terms energy: -44.364648
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -93.243742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.243742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.243742 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -35.402
Base-Backbone interact. energy: 0.248
local terms energy: -57.824658
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -189.634416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.634416 (E_RNA)
where:
Base-Base interactions energy: -105.310
where: short stacking energy: -67.783
Base-Backbone interact. energy: -0.074
local terms energy: -84.250630
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -14.424
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: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -189.173364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.173364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.173364 (E_RNA)
where:
Base-Base interactions energy: -108.385
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.029
local terms energy: -80.758916
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -15.747
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: 386
Temperature: 1.000000
Total energy: -180.464762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.464762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.464762 (E_RNA)
where:
Base-Base interactions energy: -113.969
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.121
local terms energy: -66.374603
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -181.243566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.243566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.243566 (E_RNA)
where:
Base-Base interactions energy: -103.261
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.187
local terms energy: -77.795593
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -158.544582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.544582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.544582 (E_RNA)
where:
Base-Base interactions energy: -97.838
where: short stacking energy: -50.089
Base-Backbone interact. energy: 0.204
local terms energy: -60.910636
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -8.460
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: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -155.585097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.585097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.585097 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -47.186
Base-Backbone interact. energy: -0.229
local terms energy: -52.429517
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -135.232618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.232618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.232618 (E_RNA)
where:
Base-Base interactions energy: -71.786
where: short stacking energy: -45.177
Base-Backbone interact. energy: -0.473
local terms energy: -62.973178
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -106.667501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.667501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.667501 (E_RNA)
where:
Base-Base interactions energy: -43.947
where: short stacking energy: -19.684
Base-Backbone interact. energy: -0.366
local terms energy: -62.354479
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -125.305358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.305358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.305358 (E_RNA)
where:
Base-Base interactions energy: -61.915
where: short stacking energy: -36.031
Base-Backbone interact. energy: -0.043
local terms energy: -63.348015
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -7.527
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: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -79.391549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.391549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.391549 (E_RNA)
where:
Base-Base interactions energy: -35.666
where: short stacking energy: -35.666
Base-Backbone interact. energy: 2.543
local terms energy: -46.268795
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -170.432029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432029 (E_RNA)
where:
Base-Base interactions energy: -98.055
where: short stacking energy: -57.865
Base-Backbone interact. energy: -0.463
local terms energy: -71.914440
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -13.871
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: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -191.399870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.399870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.399870 (E_RNA)
where:
Base-Base interactions energy: -107.664
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.061
local terms energy: -83.675346
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -182.188466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.188466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.188466 (E_RNA)
where:
Base-Base interactions energy: -116.268
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.080
local terms energy: -65.840118
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -4.599
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: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -162.936613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.936613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.936613 (E_RNA)
where:
Base-Base interactions energy: -99.650
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.187
local terms energy: -63.099793
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -151.674958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.674958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.674958 (E_RNA)
where:
Base-Base interactions energy: -88.789
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.686
local terms energy: -62.199988
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -10.317
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -167.637187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.637187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.637187 (E_RNA)
where:
Base-Base interactions energy: -108.630
where: short stacking energy: -65.890
Base-Backbone interact. energy: 0.277
local terms energy: -59.284830
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -89.136806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.136806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.136806 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.264
local terms energy: -51.788854
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -3.110
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: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -94.864276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.864276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.864276 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -36.115
Base-Backbone interact. energy: -0.190
local terms energy: -58.368798
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -81.911864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.911864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.911864 (E_RNA)
where:
Base-Base interactions energy: -29.599
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.224
local terms energy: -52.088178
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -78.450916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.450916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.450916 (E_RNA)
where:
Base-Base interactions energy: -21.043
where: short stacking energy: -21.043
Base-Backbone interact. energy: -0.650
local terms energy: -56.757359
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -196.063750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.063750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.063750 (E_RNA)
where:
Base-Base interactions energy: -122.522
where: short stacking energy: -68.101
Base-Backbone interact. energy: 0.064
local terms energy: -73.605470
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -175.392372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.392372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.392372 (E_RNA)
where:
Base-Base interactions energy: -110.305
where: short stacking energy: -60.000
Base-Backbone interact. energy: -0.230
local terms energy: -64.856815
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -178.606516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.606516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.606516 (E_RNA)
where:
Base-Base interactions energy: -103.879
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.074
local terms energy: -74.653585
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -180.688892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.688892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.688892 (E_RNA)
where:
Base-Base interactions energy: -104.722
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.014
local terms energy: -75.952993
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -172.827534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.827534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.827534 (E_RNA)
where:
Base-Base interactions energy: -100.683
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.050
local terms energy: -72.093845
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -161.149733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.149733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.149733 (E_RNA)
where:
Base-Base interactions energy: -93.656
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.091
local terms energy: -67.403373
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -99.181434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.181434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.181434 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.144
local terms energy: -64.983161
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -100.828165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.828165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.828165 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.114
local terms energy: -62.261430
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -97.262985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.262985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.262985 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -43.720
Base-Backbone interact. energy: -0.005
local terms energy: -53.202946
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -0.312
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: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -80.180670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.180670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.180670 (E_RNA)
where:
Base-Base interactions energy: -28.716
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.167
local terms energy: -51.297917
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -5.049
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: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -198.900664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.900664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.900664 (E_RNA)
where:
Base-Base interactions energy: -114.131
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.033
local terms energy: -84.736742
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -184.489095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.489095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.489095 (E_RNA)
where:
Base-Base interactions energy: -111.097
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.260
local terms energy: -73.132913
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -11.330
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: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -153.910867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.910867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.910867 (E_RNA)
where:
Base-Base interactions energy: -85.630
where: short stacking energy: -53.299
Base-Backbone interact. energy: 0.223
local terms energy: -68.503664
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -8.529
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: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -161.892095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.892095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.892095 (E_RNA)
where:
Base-Base interactions energy: -90.555
where: short stacking energy: -54.563
Base-Backbone interact. energy: 0.685
local terms energy: -72.021933
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -12.051
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: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -182.619411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.619411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.619411 (E_RNA)
where:
Base-Base interactions energy: -114.215
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.078
local terms energy: -68.326703
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -172.437096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.437096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.437096 (E_RNA)
where:
Base-Base interactions energy: -100.120
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.161
local terms energy: -72.156332
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -88.960325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960325 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -26.384
Base-Backbone interact. energy: -0.027
local terms energy: -58.710193
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -2.701
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: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -85.347140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.347140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.347140 (E_RNA)
where:
Base-Base interactions energy: -34.392
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.336
local terms energy: -50.619295
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -79.398418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.398418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.398418 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -22.776
Base-Backbone interact. energy: -0.251
local terms energy: -48.890572
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: 1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.961814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.961814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.961814 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -28.974
Base-Backbone interact. energy: -0.353
local terms energy: -51.721841
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -196.597010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.597010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.597010 (E_RNA)
where:
Base-Base interactions energy: -117.037
where: short stacking energy: -66.938
Base-Backbone interact. energy: -0.020
local terms energy: -79.539755
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -189.014007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.014007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.014007 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -70.029
Base-Backbone interact. energy: -0.044
local terms energy: -73.437036
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -17.524
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -172.992494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.992494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.992494 (E_RNA)
where:
Base-Base interactions energy: -105.680
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.207
local terms energy: -67.105734
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -147.015065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.015065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.015065 (E_RNA)
where:
Base-Base interactions energy: -87.877
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.470
local terms energy: -58.667726
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -8.169
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: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -162.324068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.324068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.324068 (E_RNA)
where:
Base-Base interactions energy: -95.982
where: short stacking energy: -45.420
Base-Backbone interact. energy: -0.268
local terms energy: -66.074097
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -159.147657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.147657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.147657 (E_RNA)
where:
Base-Base interactions energy: -92.688
where: short stacking energy: -50.350
Base-Backbone interact. energy: -0.032
local terms energy: -66.427871
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -12.801
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -110.477345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.477345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.477345 (E_RNA)
where:
Base-Base interactions energy: -53.065
where: short stacking energy: -53.065
Base-Backbone interact. energy: -0.018
local terms energy: -57.393839
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -11.569
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: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -85.665502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.665502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.665502 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -34.145
Base-Backbone interact. energy: 0.345
local terms energy: -50.712235
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -100.406783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.406783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.406783 (E_RNA)
where:
Base-Base interactions energy: -44.521
where: short stacking energy: -33.448
Base-Backbone interact. energy: 0.069
local terms energy: -55.954275
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -5.255
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: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -72.300552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.300552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.300552 (E_RNA)
where:
Base-Base interactions energy: -20.933
where: short stacking energy: -20.585
Base-Backbone interact. energy: 0.826
local terms energy: -52.194117
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: 0.838
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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -200.888185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.888185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.888185 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.169
local terms energy: -83.728800
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -174.124584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.124584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.124584 (E_RNA)
where:
Base-Base interactions energy: -105.533
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.010
local terms energy: -68.581223
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -177.108391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.108391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.108391 (E_RNA)
where:
Base-Base interactions energy: -102.274
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.065
local terms energy: -74.769768
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -173.039730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.039730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.039730 (E_RNA)
where:
Base-Base interactions energy: -100.488
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.025
local terms energy: -72.526565
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -16.947
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: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -159.245620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.245620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.245620 (E_RNA)
where:
Base-Base interactions energy: -87.738
where: short stacking energy: -47.219
Base-Backbone interact. energy: 0.496
local terms energy: -72.003013
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.237
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: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -121.040293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.040293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.040293 (E_RNA)
where:
Base-Base interactions energy: -55.446
where: short stacking energy: -42.723
Base-Backbone interact. energy: -0.008
local terms energy: -65.586499
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -141.801056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.801056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.801056 (E_RNA)
where:
Base-Base interactions energy: -82.534
where: short stacking energy: -51.443
Base-Backbone interact. energy: -0.541
local terms energy: -58.725849
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -102.079576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.079576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.079576 (E_RNA)
where:
Base-Base interactions energy: -55.797
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.550
local terms energy: -45.732419
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -1.036
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: 391
Temperature: 1.300000
Total energy: -92.406660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.406660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.406660 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -36.519
Base-Backbone interact. energy: -0.051
local terms energy: -55.836702
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -79.495953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.495953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.495953 (E_RNA)
where:
Base-Base interactions energy: -23.704
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.173
local terms energy: -55.619253
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -0.635
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: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -207.776402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776402 (E_RNA)
where:
Base-Base interactions energy: -130.385
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.047
local terms energy: -77.344045
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -180.731230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.731230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.731230 (E_RNA)
where:
Base-Base interactions energy: -111.573
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.035
local terms energy: -69.123583
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -178.687021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.687021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.687021 (E_RNA)
where:
Base-Base interactions energy: -103.166
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.035
local terms energy: -75.486175
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -18.170
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: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -168.701212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.701212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.701212 (E_RNA)
where:
Base-Base interactions energy: -97.199
where: short stacking energy: -57.873
Base-Backbone interact. energy: -0.006
local terms energy: -71.496178
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -178.937738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937738 (E_RNA)
where:
Base-Base interactions energy: -107.959
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.012
local terms energy: -70.965853
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -97.705989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.705989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.705989 (E_RNA)
where:
Base-Base interactions energy: -37.103
where: short stacking energy: -37.103
Base-Backbone interact. energy: -0.041
local terms energy: -60.561180
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -135.924505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.924505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.924505 (E_RNA)
where:
Base-Base interactions energy: -84.332
where: short stacking energy: -45.994
Base-Backbone interact. energy: 0.186
local terms energy: -51.778542
where:
bonds (distance) C4'-P energy: -3.805
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -99.406799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.406799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.406799 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.585
local terms energy: -65.245712
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -77.578329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.578329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.578329 (E_RNA)
where:
Base-Base interactions energy: -25.907
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.190
local terms energy: -51.481468
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.433
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: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -80.744598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.744598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.744598 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.076
local terms energy: -44.267722
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -2.040
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: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -205.314570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.314570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.314570 (E_RNA)
where:
Base-Base interactions energy: -124.357
where: short stacking energy: -76.499
Base-Backbone interact. energy: -1.798
local terms energy: -79.158948
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -179.162443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.162443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.162443 (E_RNA)
where:
Base-Base interactions energy: -105.988
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.042
local terms energy: -73.132376
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -164.404963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.404963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.404963 (E_RNA)
where:
Base-Base interactions energy: -95.410
where: short stacking energy: -54.673
Base-Backbone interact. energy: 3.783
local terms energy: -72.777499
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -147.636461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.636461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.636461 (E_RNA)
where:
Base-Base interactions energy: -76.113
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.312
local terms energy: -71.210624
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -164.976281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.976281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.976281 (E_RNA)
where:
Base-Base interactions energy: -96.637
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.002
local terms energy: -68.337335
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.195
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: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -156.693707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.693707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.693707 (E_RNA)
where:
Base-Base interactions energy: -98.609
where: short stacking energy: -50.386
Base-Backbone interact. energy: -0.163
local terms energy: -57.922353
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -5.478
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: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -81.211636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.211636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.211636 (E_RNA)
where:
Base-Base interactions energy: -28.856
where: short stacking energy: -28.856
Base-Backbone interact. energy: -0.266
local terms energy: -52.090012
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: 1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -99.787392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.787392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.787392 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -43.483
Base-Backbone interact. energy: 1.454
local terms energy: -57.757946
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -7.494
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: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -88.628538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.628538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.628538 (E_RNA)
where:
Base-Base interactions energy: -41.414
where: short stacking energy: -35.200
Base-Backbone interact. energy: -0.005
local terms energy: -47.209566
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -7.370
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -91.517884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.517884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.517884 (E_RNA)
where:
Base-Base interactions energy: -37.967
where: short stacking energy: -27.477
Base-Backbone interact. energy: 0.609
local terms energy: -54.159602
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -189.020482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.020482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.020482 (E_RNA)
where:
Base-Base interactions energy: -108.857
where: short stacking energy: -67.834
Base-Backbone interact. energy: -0.430
local terms energy: -79.733075
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -192.514636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.514636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.514636 (E_RNA)
where:
Base-Base interactions energy: -119.270
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.021
local terms energy: -73.223874
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -154.219749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.219749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.219749 (E_RNA)
where:
Base-Base interactions energy: -87.427
where: short stacking energy: -49.161
Base-Backbone interact. energy: 0.242
local terms energy: -67.034613
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.543
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: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -189.046708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.046708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.046708 (E_RNA)
where:
Base-Base interactions energy: -108.369
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.001
local terms energy: -80.675902
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -173.694605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.694605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.694605 (E_RNA)
where:
Base-Base interactions energy: -100.755
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.036
local terms energy: -72.903287
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -147.691026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.691026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.691026 (E_RNA)
where:
Base-Base interactions energy: -90.367
where: short stacking energy: -36.763
Base-Backbone interact. energy: 0.455
local terms energy: -57.778702
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -90.733861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.733861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.733861 (E_RNA)
where:
Base-Base interactions energy: -41.698
where: short stacking energy: -34.931
Base-Backbone interact. energy: -0.021
local terms energy: -49.014250
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -3.300
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: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -100.055971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.055971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.055971 (E_RNA)
where:
Base-Base interactions energy: -50.492
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.027
local terms energy: -49.537255
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -82.843276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.843276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.843276 (E_RNA)
where:
Base-Base interactions energy: -28.743
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.198
local terms energy: -53.902559
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.268
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -76.026877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.026877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.026877 (E_RNA)
where:
Base-Base interactions energy: -27.224
where: short stacking energy: -27.140
Base-Backbone interact. energy: -0.089
local terms energy: -48.714167
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -184.525453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.525453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.525453 (E_RNA)
where:
Base-Base interactions energy: -119.505
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.061
local terms energy: -64.959809
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -13.455
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: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -169.918640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.918640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.918640 (E_RNA)
where:
Base-Base interactions energy: -99.405
where: short stacking energy: -52.936
Base-Backbone interact. energy: -0.691
local terms energy: -69.823053
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -12.586
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: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -181.123323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.123323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.123323 (E_RNA)
where:
Base-Base interactions energy: -103.117
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.075
local terms energy: -77.930845
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -20.511
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: 395
Temperature: 1.050000
Total energy: -174.742379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.742379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.742379 (E_RNA)
where:
Base-Base interactions energy: -103.168
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.084
local terms energy: -71.489892
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -138.918242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.918242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.918242 (E_RNA)
where:
Base-Base interactions energy: -79.949
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.146
local terms energy: -58.822880
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -8.266
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -8.052
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: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -149.578261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.578261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.578261 (E_RNA)
where:
Base-Base interactions energy: -88.071
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.264
local terms energy: -61.243282
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -115.167545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.167545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.167545 (E_RNA)
where:
Base-Base interactions energy: -48.594
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.611
local terms energy: -65.962999
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -6.974
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: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -93.580974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.580974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.580974 (E_RNA)
where:
Base-Base interactions energy: -43.188
where: short stacking energy: -43.188
Base-Backbone interact. energy: -1.015
local terms energy: -49.378018
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -88.024832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024832 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.354
local terms energy: -45.368898
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -6.300
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -80.383016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.383016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.383016 (E_RNA)
where:
Base-Base interactions energy: -37.795
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.033
local terms energy: -42.555518
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -188.574991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.574991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.574991 (E_RNA)
where:
Base-Base interactions energy: -111.133
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.075
local terms energy: -77.366847
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -162.689358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.689358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.689358 (E_RNA)
where:
Base-Base interactions energy: -92.545
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.270
local terms energy: -69.873629
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -178.531712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531712 (E_RNA)
where:
Base-Base interactions energy: -102.539
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.002
local terms energy: -75.990646
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -156.079162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.079162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.079162 (E_RNA)
where:
Base-Base interactions energy: -89.219
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.207
local terms energy: -66.652897
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -10.283
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: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -133.380739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.380739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.380739 (E_RNA)
where:
Base-Base interactions energy: -76.359
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.526
local terms energy: -56.495396
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -156.919520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.919520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.919520 (E_RNA)
where:
Base-Base interactions energy: -99.335
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.070
local terms energy: -57.514620
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -106.269654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.269654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.269654 (E_RNA)
where:
Base-Base interactions energy: -42.018
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.009
local terms energy: -64.242500
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -85.140884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.140884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.140884 (E_RNA)
where:
Base-Base interactions energy: -31.146
where: short stacking energy: -30.334
Base-Backbone interact. energy: -0.505
local terms energy: -53.489869
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -84.883820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.883820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.883820 (E_RNA)
where:
Base-Base interactions energy: -39.666
where: short stacking energy: -28.794
Base-Backbone interact. energy: -0.441
local terms energy: -44.777321
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -5.900
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: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -90.943595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.943595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.943595 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.347
local terms energy: -54.004378
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -186.177481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.177481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.177481 (E_RNA)
where:
Base-Base interactions energy: -114.489
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.001
local terms energy: -71.686987
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -14.288
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: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -186.531291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.531291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.531291 (E_RNA)
where:
Base-Base interactions energy: -110.414
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.024
local terms energy: -76.093414
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -165.616618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.616618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.616618 (E_RNA)
where:
Base-Base interactions energy: -89.107
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.104
local terms energy: -76.405982
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -164.558313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.558313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.558313 (E_RNA)
where:
Base-Base interactions energy: -93.254
where: short stacking energy: -50.009
Base-Backbone interact. energy: -0.012
local terms energy: -71.293050
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -13.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -136.808113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.808113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.808113 (E_RNA)
where:
Base-Base interactions energy: -74.450
where: short stacking energy: -45.845
Base-Backbone interact. energy: 0.527
local terms energy: -62.885828
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.258
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -167.963997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.963997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.963997 (E_RNA)
where:
Base-Base interactions energy: -96.729
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.013
local terms energy: -71.222865
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -17.273
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: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -104.905827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.905827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.905827 (E_RNA)
where:
Base-Base interactions energy: -53.437
where: short stacking energy: -53.437
Base-Backbone interact. energy: 0.723
local terms energy: -52.191270
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -0.436
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: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.869037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869037 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.382
local terms energy: -49.489104
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -5.182
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: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -80.526465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526465 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.064
local terms energy: -48.206580
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -91.158689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158689 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.483
local terms energy: -47.152226
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -194.225904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.225904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.225904 (E_RNA)
where:
Base-Base interactions energy: -115.817
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.055
local terms energy: -78.353309
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -17.616
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: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -182.485284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.485284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.485284 (E_RNA)
where:
Base-Base interactions energy: -102.408
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.058
local terms energy: -80.019419
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -177.057726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.057726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.057726 (E_RNA)
where:
Base-Base interactions energy: -105.037
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.103
local terms energy: -71.917714
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -163.589448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.589448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.589448 (E_RNA)
where:
Base-Base interactions energy: -93.838
where: short stacking energy: -54.632
Base-Backbone interact. energy: 0.073
local terms energy: -69.824531
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -8.241
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: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -171.690057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.690057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.690057 (E_RNA)
where:
Base-Base interactions energy: -103.859
where: short stacking energy: -61.918
Base-Backbone interact. energy: -1.260
local terms energy: -66.571908
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -95.033017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.033017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.033017 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.019
local terms energy: -60.876598
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -130.950735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.950735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.950735 (E_RNA)
where:
Base-Base interactions energy: -66.796
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.030
local terms energy: -64.125530
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -7.487
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: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -88.068577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.068577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.068577 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -18.053
Base-Backbone interact. energy: -0.195
local terms energy: -58.717954
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -88.526362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.526362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.526362 (E_RNA)
where:
Base-Base interactions energy: -38.791
where: short stacking energy: -38.791
Base-Backbone interact. energy: -0.117
local terms energy: -49.617625
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -1.382
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -79.092838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.092838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.092838 (E_RNA)
where:
Base-Base interactions energy: -32.468
where: short stacking energy: -32.468
Base-Backbone interact. energy: -0.180
local terms energy: -46.444500
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -0.516
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -205.649484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.649484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.649484 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -76.465
Base-Backbone interact. energy: -0.018
local terms energy: -77.105065
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -18.787
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: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -191.490266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.490266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.490266 (E_RNA)
where:
Base-Base interactions energy: -109.770
where: short stacking energy: -67.034
Base-Backbone interact. energy: -1.061
local terms energy: -80.659325
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -181.439486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.439486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.439486 (E_RNA)
where:
Base-Base interactions energy: -110.258
where: short stacking energy: -73.439
Base-Backbone interact. energy: -0.047
local terms energy: -71.134917
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -157.516049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.516049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.516049 (E_RNA)
where:
Base-Base interactions energy: -95.362
where: short stacking energy: -51.960
Base-Backbone interact. energy: 0.129
local terms energy: -62.282874
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -155.190052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.190052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.190052 (E_RNA)
where:
Base-Base interactions energy: -97.295
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.086
local terms energy: -57.809264
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -135.628298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.628298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.628298 (E_RNA)
where:
Base-Base interactions energy: -71.908
where: short stacking energy: -37.235
Base-Backbone interact. energy: -0.115
local terms energy: -63.605474
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -96.441811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.441811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.441811 (E_RNA)
where:
Base-Base interactions energy: -35.244
where: short stacking energy: -26.521
Base-Backbone interact. energy: -1.015
local terms energy: -60.182668
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -1.272
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: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -94.365209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365209 (E_RNA)
where:
Base-Base interactions energy: -40.662
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.333
local terms energy: -53.369748
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -93.011709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.011709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.011709 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -37.243
Base-Backbone interact. energy: 0.196
local terms energy: -55.964962
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -7.917
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: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -83.935351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.935351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.935351 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.129
local terms energy: -44.908301
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -1.641
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -211.686187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.686187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.686187 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -73.684
Base-Backbone interact. energy: -0.823
local terms energy: -85.533228
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -185.118699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.118699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.118699 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.131
local terms energy: -78.340362
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -12.650
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: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -198.318683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.318683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.318683 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.204
local terms energy: -80.032045
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -18.401
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: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -168.092330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.092330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.092330 (E_RNA)
where:
Base-Base interactions energy: -106.657
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.062
local terms energy: -61.372947
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -159.160098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.160098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.160098 (E_RNA)
where:
Base-Base interactions energy: -93.609
where: short stacking energy: -54.986
Base-Backbone interact. energy: -0.649
local terms energy: -64.902195
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -126.099246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.099246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.099246 (E_RNA)
where:
Base-Base interactions energy: -73.041
where: short stacking energy: -36.730
Base-Backbone interact. energy: -0.260
local terms energy: -52.798286
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -116.815680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.815680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.815680 (E_RNA)
where:
Base-Base interactions energy: -50.720
where: short stacking energy: -46.814
Base-Backbone interact. energy: -0.004
local terms energy: -66.092159
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -13.963
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -107.091456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.091456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.091456 (E_RNA)
where:
Base-Base interactions energy: -56.402
where: short stacking energy: -32.170
Base-Backbone interact. energy: -0.308
local terms energy: -50.382024
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -78.932065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.932065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.932065 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.161
local terms energy: -42.326945
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -78.446654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446654 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -24.946
Base-Backbone interact. energy: -0.470
local terms energy: -41.659973
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -1.932
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -211.442424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.442424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.442424 (E_RNA)
where:
Base-Base interactions energy: -126.299
where: short stacking energy: -78.355
Base-Backbone interact. energy: -0.022
local terms energy: -85.120817
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -188.346357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.346357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.346357 (E_RNA)
where:
Base-Base interactions energy: -123.777
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.067
local terms energy: -64.502074
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -180.134880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.134880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.134880 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -66.265
Base-Backbone interact. energy: -0.098
local terms energy: -69.950252
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -15.792
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: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -172.593095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.593095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.593095 (E_RNA)
where:
Base-Base interactions energy: -98.020
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.191
local terms energy: -74.381377
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -164.154744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.154744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.154744 (E_RNA)
where:
Base-Base interactions energy: -95.551
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.626
local terms energy: -67.977430
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -103.320956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.320956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.320956 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -41.433
Base-Backbone interact. energy: 1.022
local terms energy: -62.909933
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -148.630878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.630878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.630878 (E_RNA)
where:
Base-Base interactions energy: -83.216
where: short stacking energy: -43.679
Base-Backbone interact. energy: -0.064
local terms energy: -65.351569
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -120.879545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.879545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.879545 (E_RNA)
where:
Base-Base interactions energy: -69.556
where: short stacking energy: -38.994
Base-Backbone interact. energy: -0.009
local terms energy: -51.313928
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -86.619663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.619663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.619663 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.229
local terms energy: -52.633214
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -116.941843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.941843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.941843 (E_RNA)
where:
Base-Base interactions energy: -60.752
where: short stacking energy: -28.555
Base-Backbone interact. energy: -0.838
local terms energy: -55.351753
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -204.325037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.325037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.325037 (E_RNA)
where:
Base-Base interactions energy: -120.623
where: short stacking energy: -72.970
Base-Backbone interact. energy: -1.065
local terms energy: -82.637511
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -189.236687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.236687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.236687 (E_RNA)
where:
Base-Base interactions energy: -112.655
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.579
local terms energy: -76.002785
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -174.028577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.028577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.028577 (E_RNA)
where:
Base-Base interactions energy: -104.453
where: short stacking energy: -59.200
Base-Backbone interact. energy: -0.240
local terms energy: -69.335853
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -167.817653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.817653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.817653 (E_RNA)
where:
Base-Base interactions energy: -96.273
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.532
local terms energy: -71.012663
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -11.580
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: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -169.034951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.034951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.034951 (E_RNA)
where:
Base-Base interactions energy: -91.508
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.183
local terms energy: -77.344317
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -16.786
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: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -149.001228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.001228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.001228 (E_RNA)
where:
Base-Base interactions energy: -87.703
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.294
local terms energy: -61.003916
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -9.203
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -136.569946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.569946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.569946 (E_RNA)
where:
Base-Base interactions energy: -73.973
where: short stacking energy: -37.338
Base-Backbone interact. energy: 0.779
local terms energy: -63.376040
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -112.922428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.922428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.922428 (E_RNA)
where:
Base-Base interactions energy: -45.477
where: short stacking energy: -41.282
Base-Backbone interact. energy: -0.040
local terms energy: -67.405448
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -9.094
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: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -132.841112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.841112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.841112 (E_RNA)
where:
Base-Base interactions energy: -73.457
where: short stacking energy: -39.117
Base-Backbone interact. energy: -0.101
local terms energy: -59.283627
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -11.876
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: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -77.115939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.115939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.115939 (E_RNA)
where:
Base-Base interactions energy: -21.810
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.051
local terms energy: -55.254306
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: 0.533
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: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -208.565087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.565087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.565087 (E_RNA)
where:
Base-Base interactions energy: -123.801
where: short stacking energy: -75.738
Base-Backbone interact. energy: -0.247
local terms energy: -84.517506
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -23.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -175.089508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.089508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.089508 (E_RNA)
where:
Base-Base interactions energy: -105.220
where: short stacking energy: -66.120
Base-Backbone interact. energy: 1.807
local terms energy: -71.676899
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -172.638661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.638661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.638661 (E_RNA)
where:
Base-Base interactions energy: -97.429
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.026
local terms energy: -75.183525
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -178.599800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.599800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.599800 (E_RNA)
where:
Base-Base interactions energy: -111.613
where: short stacking energy: -60.319
Base-Backbone interact. energy: -1.007
local terms energy: -65.980428
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -168.009347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.009347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.009347 (E_RNA)
where:
Base-Base interactions energy: -99.432
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.119
local terms energy: -68.458343
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -15.419
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: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -145.439718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.439718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.439718 (E_RNA)
where:
Base-Base interactions energy: -85.911
where: short stacking energy: -47.859
Base-Backbone interact. energy: -0.070
local terms energy: -59.458563
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.699
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: 7, replica: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -140.055843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.055843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.055843 (E_RNA)
where:
Base-Base interactions energy: -89.402
where: short stacking energy: -38.131
Base-Backbone interact. energy: -0.369
local terms energy: -50.284333
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -1.228
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -146.506993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.506993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.506993 (E_RNA)
where:
Base-Base interactions energy: -91.883
where: short stacking energy: -51.194
Base-Backbone interact. energy: -0.041
local terms energy: -54.582258
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -112.058248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.058248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.058248 (E_RNA)
where:
Base-Base interactions energy: -66.459
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.977
local terms energy: -44.621816
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -86.899464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899464 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -37.264
Base-Backbone interact. energy: 0.928
local terms energy: -50.564029
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -195.479726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.479726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.479726 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.568
local terms energy: -79.473073
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -181.464044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.464044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.464044 (E_RNA)
where:
Base-Base interactions energy: -102.628
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.013
local terms energy: -78.823061
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -183.246265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.246265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.246265 (E_RNA)
where:
Base-Base interactions energy: -109.027
where: short stacking energy: -64.900
Base-Backbone interact. energy: 0.373
local terms energy: -74.592465
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -175.065374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.065374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.065374 (E_RNA)
where:
Base-Base interactions energy: -98.194
where: short stacking energy: -57.457
Base-Backbone interact. energy: 1.218
local terms energy: -78.089310
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -14.661
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: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -157.885550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.885550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.885550 (E_RNA)
where:
Base-Base interactions energy: -93.645
where: short stacking energy: -42.578
Base-Backbone interact. energy: -0.430
local terms energy: -63.811364
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -148.627598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.627598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.627598 (E_RNA)
where:
Base-Base interactions energy: -80.199
where: short stacking energy: -50.204
Base-Backbone interact. energy: -0.034
local terms energy: -68.395255
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -160.015235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.015235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.015235 (E_RNA)
where:
Base-Base interactions energy: -90.604
where: short stacking energy: -52.357
Base-Backbone interact. energy: -1.545
local terms energy: -67.866065
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -14.505
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -127.020188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.020188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.020188 (E_RNA)
where:
Base-Base interactions energy: -69.970
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.027
local terms energy: -57.022464
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.236
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: 404
Temperature: 1.300000
Total energy: -90.900006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900006 (E_RNA)
where:
Base-Base interactions energy: -35.891
where: short stacking energy: -26.840
Base-Backbone interact. energy: -1.436
local terms energy: -53.572929
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -77.518829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.518829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.518829 (E_RNA)
where:
Base-Base interactions energy: -21.099
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.122
local terms energy: -56.296953
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -197.866131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.866131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.866131 (E_RNA)
where:
Base-Base interactions energy: -122.663
where: short stacking energy: -73.815
Base-Backbone interact. energy: -1.288
local terms energy: -73.914799
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -17.414
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: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -186.365893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.365893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.365893 (E_RNA)
where:
Base-Base interactions energy: -110.267
where: short stacking energy: -66.155
Base-Backbone interact. energy: -0.029
local terms energy: -76.069711
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -182.368601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.368601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.368601 (E_RNA)
where:
Base-Base interactions energy: -102.260
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.002
local terms energy: -80.106386
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -17.104
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: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -182.059154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.059154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059154 (E_RNA)
where:
Base-Base interactions energy: -104.364
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.137
local terms energy: -77.557862
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -163.775441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.775441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.775441 (E_RNA)
where:
Base-Base interactions energy: -97.696
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.110
local terms energy: -65.969638
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -167.603539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.603539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.603539 (E_RNA)
where:
Base-Base interactions energy: -100.805
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.090
local terms energy: -66.708970
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -8.378
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: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -144.686129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.686129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.686129 (E_RNA)
where:
Base-Base interactions energy: -82.936
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.445
local terms energy: -61.305895
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -99.528960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.528960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.528960 (E_RNA)
where:
Base-Base interactions energy: -36.487
where: short stacking energy: -36.487
Base-Backbone interact. energy: -0.058
local terms energy: -62.984139
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -11.618
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: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -105.799525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.799525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.799525 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -36.837
Base-Backbone interact. energy: -0.057
local terms energy: -62.237087
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -81.517871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.517871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.517871 (E_RNA)
where:
Base-Base interactions energy: -28.718
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.505
local terms energy: -52.295797
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -200.033532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.033532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.033532 (E_RNA)
where:
Base-Base interactions energy: -115.030
where: short stacking energy: -72.681
Base-Backbone interact. energy: -0.007
local terms energy: -84.996466
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -20.234
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: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -190.990145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.990145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.990145 (E_RNA)
where:
Base-Base interactions energy: -119.717
where: short stacking energy: -69.231
Base-Backbone interact. energy: -0.072
local terms energy: -71.201200
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -184.132422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.132422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.132422 (E_RNA)
where:
Base-Base interactions energy: -109.273
where: short stacking energy: -70.885
Base-Backbone interact. energy: -0.010
local terms energy: -74.849042
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -167.622993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.622993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.622993 (E_RNA)
where:
Base-Base interactions energy: -99.436
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.027
local terms energy: -68.159108
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -151.889540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.889540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.889540 (E_RNA)
where:
Base-Base interactions energy: -87.327
where: short stacking energy: -44.764
Base-Backbone interact. energy: -0.116
local terms energy: -64.446896
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.185
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: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -183.354990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.354990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.354990 (E_RNA)
where:
Base-Base interactions energy: -108.612
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.046
local terms energy: -74.696885
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -140.765230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.765230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.765230 (E_RNA)
where:
Base-Base interactions energy: -74.395
where: short stacking energy: -39.295
Base-Backbone interact. energy: -0.565
local terms energy: -65.805629
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -99.597795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.597795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.597795 (E_RNA)
where:
Base-Base interactions energy: -46.542
where: short stacking energy: -45.871
Base-Backbone interact. energy: -0.256
local terms energy: -52.799428
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -91.224792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.224792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.224792 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -27.619
Base-Backbone interact. energy: -0.275
local terms energy: -53.322887
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -84.882399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.882399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.882399 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -34.115
Base-Backbone interact. energy: -0.132
local terms energy: -47.031753
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -11.238
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: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -192.654192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.654192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.654192 (E_RNA)
where:
Base-Base interactions energy: -115.437
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.005
local terms energy: -77.212637
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -183.035718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.035718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.035718 (E_RNA)
where:
Base-Base interactions energy: -113.088
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.215
local terms energy: -69.732728
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -15.779
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: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -187.278627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278627 (E_RNA)
where:
Base-Base interactions energy: -105.432
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.164
local terms energy: -81.683171
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -160.431764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.431764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.431764 (E_RNA)
where:
Base-Base interactions energy: -95.587
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.030
local terms energy: -64.814860
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -13.838
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: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -159.192373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.192373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.192373 (E_RNA)
where:
Base-Base interactions energy: -91.954
where: short stacking energy: -44.707
Base-Backbone interact. energy: -0.248
local terms energy: -66.990088
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -12.695
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: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -177.180139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.180139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.180139 (E_RNA)
where:
Base-Base interactions energy: -111.065
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.583
local terms energy: -65.531885
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -155.200966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.200966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.200966 (E_RNA)
where:
Base-Base interactions energy: -98.507
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.044
local terms energy: -56.650540
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -91.696106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.696106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.696106 (E_RNA)
where:
Base-Base interactions energy: -35.318
where: short stacking energy: -32.537
Base-Backbone interact. energy: -0.585
local terms energy: -55.793350
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -8.072
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: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -89.409294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.409294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.409294 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.172
local terms energy: -46.642839
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -68.820631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.820631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.820631 (E_RNA)
where:
Base-Base interactions energy: -22.847
where: short stacking energy: -22.715
Base-Backbone interact. energy: -0.210
local terms energy: -45.763594
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -196.705767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.705767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.705767 (E_RNA)
where:
Base-Base interactions energy: -114.224
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.727
local terms energy: -81.755525
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -181.015025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015025 (E_RNA)
where:
Base-Base interactions energy: -107.701
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.001
local terms energy: -73.313452
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -180.483754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.483754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.483754 (E_RNA)
where:
Base-Base interactions energy: -113.652
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.031
local terms energy: -66.800623
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -161.473876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.473876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.473876 (E_RNA)
where:
Base-Base interactions energy: -98.448
where: short stacking energy: -42.662
Base-Backbone interact. energy: -0.370
local terms energy: -62.656086
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -160.013941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.013941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.013941 (E_RNA)
where:
Base-Base interactions energy: -92.713
where: short stacking energy: -47.207
Base-Backbone interact. energy: -0.162
local terms energy: -67.138727
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -10.540
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: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -183.813393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.813393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.813393 (E_RNA)
where:
Base-Base interactions energy: -105.549
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.011
local terms energy: -78.252717
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -9.545
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: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -142.224921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.224921 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.085
local terms energy: -60.072788
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -15.738
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: 408
Temperature: 1.250000
Total energy: -87.380501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.380501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.380501 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.379
local terms energy: -49.148185
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -89.154994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154994 (E_RNA)
where:
Base-Base interactions energy: -33.947
where: short stacking energy: -27.219
Base-Backbone interact. energy: -0.024
local terms energy: -55.184163
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -109.612292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.612292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.612292 (E_RNA)
where:
Base-Base interactions energy: -57.328
where: short stacking energy: -30.423
Base-Backbone interact. energy: -0.397
local terms energy: -51.887020
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.282
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: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -196.501923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.501923 (E_RNA)
where:
Base-Base interactions energy: -116.687
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.002
local terms energy: -79.812975
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.384
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: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -191.856937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.856937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.856937 (E_RNA)
where:
Base-Base interactions energy: -116.800
where: short stacking energy: -70.809
Base-Backbone interact. energy: 0.588
local terms energy: -75.645310
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -19.909
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: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -190.944959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944959 (E_RNA)
where:
Base-Base interactions energy: -107.633
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.085
local terms energy: -83.227039
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -18.812
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: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -177.758657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.758657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.758657 (E_RNA)
where:
Base-Base interactions energy: -110.126
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.230
local terms energy: -67.402480
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -178.151580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.151580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.151580 (E_RNA)
where:
Base-Base interactions energy: -108.531
where: short stacking energy: -62.943
Base-Backbone interact. energy: -1.104
local terms energy: -68.516624
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -14.096
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: 409
Temperature: 1.150000
Total energy: -151.045285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.045285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.045285 (E_RNA)
where:
Base-Base interactions energy: -87.637
where: short stacking energy: -47.321
Base-Backbone interact. energy: -0.091
local terms energy: -63.316995
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -160.068551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.068551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.068551 (E_RNA)
where:
Base-Base interactions energy: -101.184
where: short stacking energy: -53.375
Base-Backbone interact. energy: -0.011
local terms energy: -58.873832
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -3.784
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: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -93.486170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486170 (E_RNA)
where:
Base-Base interactions energy: -40.447
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.188
local terms energy: -52.851206
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -6.617
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: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -84.752251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.752251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.752251 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -18.777
Base-Backbone interact. energy: -0.135
local terms energy: -45.512010
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -86.787463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.787463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.787463 (E_RNA)
where:
Base-Base interactions energy: -33.695
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.327
local terms energy: -52.765508
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -196.595934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.595934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.595934 (E_RNA)
where:
Base-Base interactions energy: -113.867
where: short stacking energy: -74.346
Base-Backbone interact. energy: 0.051
local terms energy: -82.779373
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -190.115136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.115136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.115136 (E_RNA)
where:
Base-Base interactions energy: -116.914
where: short stacking energy: -69.218
Base-Backbone interact. energy: -0.024
local terms energy: -73.176996
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -191.833858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.833858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.833858 (E_RNA)
where:
Base-Base interactions energy: -112.235
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.210
local terms energy: -79.388954
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -20.444
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: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -170.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.283008 (E_RNA)
where:
Base-Base interactions energy: -98.477
where: short stacking energy: -43.937
Base-Backbone interact. energy: -0.866
local terms energy: -70.940176
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -9.163
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: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -165.748325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.748325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.748325 (E_RNA)
where:
Base-Base interactions energy: -95.406
where: short stacking energy: -53.972
Base-Backbone interact. energy: -0.005
local terms energy: -70.337889
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -15.405
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: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -147.284675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.284675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.284675 (E_RNA)
where:
Base-Base interactions energy: -82.026
where: short stacking energy: -45.392
Base-Backbone interact. energy: -0.109
local terms energy: -65.149662
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -155.936307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.936307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.936307 (E_RNA)
where:
Base-Base interactions energy: -88.216
where: short stacking energy: -45.111
Base-Backbone interact. energy: 0.039
local terms energy: -67.758944
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -11.317
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -91.489241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.489241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.489241 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.272
local terms energy: -60.893226
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -81.440832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.440832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.440832 (E_RNA)
where:
Base-Base interactions energy: -25.034
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.217
local terms energy: -56.190502
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -94.867549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867549 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -36.730
Base-Backbone interact. energy: -0.023
local terms energy: -58.115351
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -198.107853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.107853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.107853 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -67.725
Base-Backbone interact. energy: 0.043
local terms energy: -81.946864
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.354
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: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -191.038480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.038480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.038480 (E_RNA)
where:
Base-Base interactions energy: -118.126
where: short stacking energy: -71.570
Base-Backbone interact. energy: -0.059
local terms energy: -72.854329
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -192.334416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.334416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.334416 (E_RNA)
where:
Base-Base interactions energy: -116.239
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.018
local terms energy: -76.077426
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -172.592038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.592038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.592038 (E_RNA)
where:
Base-Base interactions energy: -100.692
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.907
local terms energy: -70.993606
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -12.337
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -156.139793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.139793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.139793 (E_RNA)
where:
Base-Base interactions energy: -88.227
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.020
local terms energy: -67.893017
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -154.620009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.620009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.620009 (E_RNA)
where:
Base-Base interactions energy: -88.572
where: short stacking energy: -52.825
Base-Backbone interact. energy: 1.276
local terms energy: -67.324643
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -154.019303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.019303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.019303 (E_RNA)
where:
Base-Base interactions energy: -87.032
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.153
local terms energy: -66.834620
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -91.077532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.077532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.077532 (E_RNA)
where:
Base-Base interactions energy: -41.398
where: short stacking energy: -41.398
Base-Backbone interact. energy: 1.102
local terms energy: -50.780763
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -83.174531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.174531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.174531 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -35.920
Base-Backbone interact. energy: -0.072
local terms energy: -47.181952
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -1.775
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -77.874218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.874218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.874218 (E_RNA)
where:
Base-Base interactions energy: -26.246
where: short stacking energy: -26.246
Base-Backbone interact. energy: -0.040
local terms energy: -51.588717
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: 2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -192.734114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.734114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.734114 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -76.749
Base-Backbone interact. energy: -0.000
local terms energy: -79.099014
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -177.327829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.327829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.327829 (E_RNA)
where:
Base-Base interactions energy: -106.124
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.085
local terms energy: -71.118424
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -184.094699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.094699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.094699 (E_RNA)
where:
Base-Base interactions energy: -114.543
where: short stacking energy: -62.654
Base-Backbone interact. energy: 0.514
local terms energy: -70.065642
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -178.578067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.578067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.578067 (E_RNA)
where:
Base-Base interactions energy: -111.890
where: short stacking energy: -63.508
Base-Backbone interact. energy: -0.118
local terms energy: -66.569897
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -170.808048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.808048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.808048 (E_RNA)
where:
Base-Base interactions energy: -105.867
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.007
local terms energy: -64.933818
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -162.938063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.938063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.938063 (E_RNA)
where:
Base-Base interactions energy: -101.113
where: short stacking energy: -58.002
Base-Backbone interact. energy: 0.301
local terms energy: -62.126045
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -146.992587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.992587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.992587 (E_RNA)
where:
Base-Base interactions energy: -86.069
where: short stacking energy: -41.702
Base-Backbone interact. energy: 1.159
local terms energy: -62.082227
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -89.534167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534167 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -30.154
Base-Backbone interact. energy: -0.119
local terms energy: -51.169513
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -4.307
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: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -82.722923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.722923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.722923 (E_RNA)
where:
Base-Base interactions energy: -31.091
where: short stacking energy: -31.091
Base-Backbone interact. energy: -0.053
local terms energy: -51.578683
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -83.226196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.226196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.226196 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -33.278
Base-Backbone interact. energy: 0.519
local terms energy: -50.466862
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -183.863717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.863717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.863717 (E_RNA)
where:
Base-Base interactions energy: -105.380
where: short stacking energy: -64.661
Base-Backbone interact. energy: 0.250
local terms energy: -78.733885
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.238
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: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -192.774582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.774582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.774582 (E_RNA)
where:
Base-Base interactions energy: -113.058
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.011
local terms energy: -79.705245
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -174.729740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.729740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.729740 (E_RNA)
where:
Base-Base interactions energy: -99.121
where: short stacking energy: -53.155
Base-Backbone interact. energy: -0.101
local terms energy: -75.507690
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -176.561222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.561222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.561222 (E_RNA)
where:
Base-Base interactions energy: -111.691
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.146
local terms energy: -64.724427
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -167.698562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.698562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.698562 (E_RNA)
where:
Base-Base interactions energy: -98.042
where: short stacking energy: -58.591
Base-Backbone interact. energy: 0.675
local terms energy: -70.331468
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -13.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -143.737135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.737135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.737135 (E_RNA)
where:
Base-Base interactions energy: -86.515
where: short stacking energy: -46.875
Base-Backbone interact. energy: -0.149
local terms energy: -57.072734
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.850
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: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -154.415435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.415435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.415435 (E_RNA)
where:
Base-Base interactions energy: -101.074
where: short stacking energy: -56.648
Base-Backbone interact. energy: 0.331
local terms energy: -53.672901
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -1.473
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -101.063396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.063396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.063396 (E_RNA)
where:
Base-Base interactions energy: -45.812
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.163
local terms energy: -55.088333
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -6.896
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -8.807
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: 413
Temperature: 1.300000
Total energy: -78.639203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.639203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.639203 (E_RNA)
where:
Base-Base interactions energy: -27.185
where: short stacking energy: -27.185
Base-Backbone interact. energy: -0.193
local terms energy: -51.260860
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: 0.393
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: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -72.964809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.964809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.964809 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -26.596
Base-Backbone interact. energy: 0.229
local terms energy: -46.597302
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -207.829618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.829618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.829618 (E_RNA)
where:
Base-Base interactions energy: -121.583
where: short stacking energy: -75.734
Base-Backbone interact. energy: -0.035
local terms energy: -86.211641
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -184.795563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.795563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.795563 (E_RNA)
where:
Base-Base interactions energy: -106.281
where: short stacking energy: -61.612
Base-Backbone interact. energy: -0.024
local terms energy: -78.490691
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -18.044
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -179.570848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.570848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.570848 (E_RNA)
where:
Base-Base interactions energy: -101.297
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.720
local terms energy: -77.554058
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -12.857
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -162.975313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.975313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.975313 (E_RNA)
where:
Base-Base interactions energy: -97.859
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.123
local terms energy: -64.992764
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.158
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: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -164.684104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.684104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.684104 (E_RNA)
where:
Base-Base interactions energy: -104.887
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.046
local terms energy: -59.751334
where:
bonds (distance) C4'-P energy: -3.867
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -156.613309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.613309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.613309 (E_RNA)
where:
Base-Base interactions energy: -93.267
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.075
local terms energy: -63.271550
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -6.198
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: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -144.947086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.947086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.947086 (E_RNA)
where:
Base-Base interactions energy: -80.713
where: short stacking energy: -44.259
Base-Backbone interact. energy: 0.366
local terms energy: -64.599791
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -84.216287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216287 (E_RNA)
where:
Base-Base interactions energy: -34.395
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.190
local terms energy: -49.631232
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -5.351
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: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -83.823913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.823913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.823913 (E_RNA)
where:
Base-Base interactions energy: -31.186
where: short stacking energy: -28.211
Base-Backbone interact. energy: -0.242
local terms energy: -52.395092
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -7.202
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -74.584476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.584476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.584476 (E_RNA)
where:
Base-Base interactions energy: -29.575
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.601
local terms energy: -44.408666
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -207.836185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.836185 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.002
local terms energy: -83.261819
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -20.433
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: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -183.288707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.288707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.288707 (E_RNA)
where:
Base-Base interactions energy: -105.307
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.016
local terms energy: -77.965677
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -180.725586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.725586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.725586 (E_RNA)
where:
Base-Base interactions energy: -104.273
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.200
local terms energy: -76.252727
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -165.259133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.259133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.259133 (E_RNA)
where:
Base-Base interactions energy: -99.406
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.036
local terms energy: -65.817033
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -153.971020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.971020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.971020 (E_RNA)
where:
Base-Base interactions energy: -81.556
where: short stacking energy: -47.145
Base-Backbone interact. energy: -0.568
local terms energy: -71.846820
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -167.446014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.446014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.446014 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -54.057
Base-Backbone interact. energy: 1.124
local terms energy: -69.986613
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -18.982
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: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -138.503094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.503094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.503094 (E_RNA)
where:
Base-Base interactions energy: -79.200
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.198
local terms energy: -59.105348
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -82.471882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471882 (E_RNA)
where:
Base-Base interactions energy: -35.252
where: short stacking energy: -35.252
Base-Backbone interact. energy: -0.046
local terms energy: -47.174404
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -87.808220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808220 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.082
local terms energy: -52.890817
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -80.084789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.084789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.084789 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.332
local terms energy: -50.980879
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -199.376586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.376586 (E_RNA)
where:
Base-Base interactions energy: -116.256
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.021
local terms energy: -83.098734
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -198.316538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.316538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.316538 (E_RNA)
where:
Base-Base interactions energy: -123.049
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.005
local terms energy: -75.262782
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -193.297631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.297631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297631 (E_RNA)
where:
Base-Base interactions energy: -112.992
where: short stacking energy: -69.587
Base-Backbone interact. energy: -0.000
local terms energy: -80.305692
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -11.538
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: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -176.061015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061015 (E_RNA)
where:
Base-Base interactions energy: -101.114
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.004
local terms energy: -74.943505
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -175.781374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.781374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.781374 (E_RNA)
where:
Base-Base interactions energy: -101.661
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.771
local terms energy: -73.349536
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -9.289
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: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -132.809143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.809143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.809143 (E_RNA)
where:
Base-Base interactions energy: -78.384
where: short stacking energy: -42.746
Base-Backbone interact. energy: -2.113
local terms energy: -52.311601
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -105.595061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.595061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.595061 (E_RNA)
where:
Base-Base interactions energy: -49.367
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.047
local terms energy: -56.181239
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -102.045710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.045710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.045710 (E_RNA)
where:
Base-Base interactions energy: -48.161
where: short stacking energy: -30.270
Base-Backbone interact. energy: -0.480
local terms energy: -53.404516
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -84.474603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474603 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -33.192
Base-Backbone interact. energy: -0.245
local terms energy: -46.931345
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -5.360
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -3.348
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: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -78.813191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.813191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.813191 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -24.228
Base-Backbone interact. energy: 0.351
local terms energy: -50.867035
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: 1.094
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: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -200.015643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.015643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.015643 (E_RNA)
where:
Base-Base interactions energy: -114.150
where: short stacking energy: -73.088
Base-Backbone interact. energy: 0.323
local terms energy: -86.188956
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -206.496901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.496901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.496901 (E_RNA)
where:
Base-Base interactions energy: -124.300
where: short stacking energy: -70.965
Base-Backbone interact. energy: -0.006
local terms energy: -82.191375
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -198.105619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.105619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.105619 (E_RNA)
where:
Base-Base interactions energy: -113.119
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.847
local terms energy: -84.139674
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -168.545049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.545049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.545049 (E_RNA)
where:
Base-Base interactions energy: -95.724
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.422
local terms energy: -72.398966
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -172.837657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.837657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.837657 (E_RNA)
where:
Base-Base interactions energy: -112.251
where: short stacking energy: -59.113
Base-Backbone interact. energy: 0.127
local terms energy: -60.713921
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -13.573
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: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -143.261598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.261598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.261598 (E_RNA)
where:
Base-Base interactions energy: -72.974
where: short stacking energy: -39.379
Base-Backbone interact. energy: -0.119
local terms energy: -70.168514
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -92.720994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720994 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.061
local terms energy: -53.167402
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -84.870307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.870307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.870307 (E_RNA)
where:
Base-Base interactions energy: -27.171
where: short stacking energy: -27.171
Base-Backbone interact. energy: 1.753
local terms energy: -59.451377
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -95.573902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.573902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.573902 (E_RNA)
where:
Base-Base interactions energy: -34.815
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.222
local terms energy: -60.537039
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -81.221551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.221551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.221551 (E_RNA)
where:
Base-Base interactions energy: -26.842
where: short stacking energy: -24.957
Base-Backbone interact. energy: -0.166
local terms energy: -54.213161
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -200.953316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.953316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.953316 (E_RNA)
where:
Base-Base interactions energy: -123.532
where: short stacking energy: -70.015
Base-Backbone interact. energy: -0.015
local terms energy: -77.406170
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.840
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: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -198.643600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.643600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.643600 (E_RNA)
where:
Base-Base interactions energy: -118.696
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.082
local terms energy: -79.866407
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -184.527587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.527587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.527587 (E_RNA)
where:
Base-Base interactions energy: -107.757
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.144
local terms energy: -76.626562
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -185.201062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.201062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.201062 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.156
local terms energy: -71.534849
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -174.858236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.858236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.858236 (E_RNA)
where:
Base-Base interactions energy: -103.580
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.028
local terms energy: -71.249792
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -16.540
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: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -141.846689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.846689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.846689 (E_RNA)
where:
Base-Base interactions energy: -82.870
where: short stacking energy: -40.614
Base-Backbone interact. energy: 1.052
local terms energy: -60.028087
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -12.401
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -102.717370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.717370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.717370 (E_RNA)
where:
Base-Base interactions energy: -45.038
where: short stacking energy: -31.600
Base-Backbone interact. energy: -0.047
local terms energy: -57.632371
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -90.877292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877292 (E_RNA)
where:
Base-Base interactions energy: -31.958
where: short stacking energy: -31.958
Base-Backbone interact. energy: 0.361
local terms energy: -59.280723
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -85.271820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.271820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.271820 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -27.576
Base-Backbone interact. energy: -0.240
local terms energy: -52.342896
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -84.474774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474774 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.242
local terms energy: -52.228593
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -201.508052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.508052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.508052 (E_RNA)
where:
Base-Base interactions energy: -115.487
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.025
local terms energy: -85.996826
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -188.126184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126184 (E_RNA)
where:
Base-Base interactions energy: -118.004
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.066
local terms energy: -70.056295
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -187.897462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.897462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.897462 (E_RNA)
where:
Base-Base interactions energy: -111.964
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.076
local terms energy: -75.857767
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -191.146855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.146855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.146855 (E_RNA)
where:
Base-Base interactions energy: -113.568
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.032
local terms energy: -77.546339
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -162.287078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.287078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.287078 (E_RNA)
where:
Base-Base interactions energy: -99.169
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.149
local terms energy: -62.969521
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -153.160530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.160530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.160530 (E_RNA)
where:
Base-Base interactions energy: -81.765
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.152
local terms energy: -71.242583
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -10.813
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: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -112.230117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.230117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.230117 (E_RNA)
where:
Base-Base interactions energy: -55.892
where: short stacking energy: -34.549
Base-Backbone interact. energy: 0.056
local terms energy: -56.394012
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -11.190
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: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -104.240639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.240639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.240639 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -35.303
Base-Backbone interact. energy: -0.100
local terms energy: -58.582164
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -3.129
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: 419
Temperature: 1.300000
Total energy: -78.701858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.701858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.701858 (E_RNA)
where:
Base-Base interactions energy: -27.506
where: short stacking energy: -24.549
Base-Backbone interact. energy: -0.115
local terms energy: -51.080170
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: 0.534
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: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -88.940276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.940276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.940276 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.059
local terms energy: -56.300027
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -5.472
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -191.413513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.413513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.413513 (E_RNA)
where:
Base-Base interactions energy: -116.006
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.022
local terms energy: -75.385144
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -16.768
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -194.311507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.311507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.311507 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -72.840
Base-Backbone interact. energy: -0.039
local terms energy: -76.406695
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -15.747
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: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -176.732184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732184 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -64.532
Base-Backbone interact. energy: 0.109
local terms energy: -62.597717
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -197.771172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.771172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.771172 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -74.877
Base-Backbone interact. energy: -0.004
local terms energy: -81.073199
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -159.790703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.790703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.790703 (E_RNA)
where:
Base-Base interactions energy: -95.825
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.088
local terms energy: -63.878232
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -11.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -158.652670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.652670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.652670 (E_RNA)
where:
Base-Base interactions energy: -91.037
where: short stacking energy: -45.220
Base-Backbone interact. energy: -0.256
local terms energy: -67.359369
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -12.855
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: 420
Temperature: 1.200000
Total energy: -133.959542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.959542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.959542 (E_RNA)
where:
Base-Base interactions energy: -88.634
where: short stacking energy: -44.182
Base-Backbone interact. energy: -0.048
local terms energy: -45.277374
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -5.439
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -109.774191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.774191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.774191 (E_RNA)
where:
Base-Base interactions energy: -54.623
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.960
local terms energy: -54.191363
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -8.735
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: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -82.656101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656101 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.466
local terms energy: -51.961470
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -9.237
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: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -75.576040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.576040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.576040 (E_RNA)
where:
Base-Base interactions energy: -29.284
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.009
local terms energy: -46.282472
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -182.415481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.415481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.415481 (E_RNA)
where:
Base-Base interactions energy: -109.868
where: short stacking energy: -66.552
Base-Backbone interact. energy: 0.099
local terms energy: -72.646866
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.273
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: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -193.178661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.178661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.178661 (E_RNA)
where:
Base-Base interactions energy: -127.361
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.069
local terms energy: -65.749229
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -173.033293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.033293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.033293 (E_RNA)
where:
Base-Base interactions energy: -102.303
where: short stacking energy: -54.812
Base-Backbone interact. energy: -0.002
local terms energy: -70.728018
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.209
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: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -181.433952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.433952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.433952 (E_RNA)
where:
Base-Base interactions energy: -106.361
where: short stacking energy: -65.539
Base-Backbone interact. energy: -0.027
local terms energy: -75.046051
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -156.248988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.248988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.248988 (E_RNA)
where:
Base-Base interactions energy: -94.124
where: short stacking energy: -50.519
Base-Backbone interact. energy: -0.015
local terms energy: -62.109951
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -13.063
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -176.138549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.138549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.138549 (E_RNA)
where:
Base-Base interactions energy: -108.441
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.038
local terms energy: -67.659577
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -13.326
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: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -139.229306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.229306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.229306 (E_RNA)
where:
Base-Base interactions energy: -90.461
where: short stacking energy: -37.691
Base-Backbone interact. energy: -0.151
local terms energy: -48.617888
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -123.954263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.954263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.954263 (E_RNA)
where:
Base-Base interactions energy: -65.474
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.009
local terms energy: -58.471501
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -8.506
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: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -86.525934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525934 (E_RNA)
where:
Base-Base interactions energy: -39.817
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.258
local terms energy: -46.450925
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -84.407012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.407012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.407012 (E_RNA)
where:
Base-Base interactions energy: -32.603
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.098
local terms energy: -51.706252
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -190.419994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.419994 (E_RNA)
where:
Base-Base interactions energy: -116.235
where: short stacking energy: -59.371
Base-Backbone interact. energy: -1.240
local terms energy: -72.945322
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -198.842294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.842294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.842294 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -76.372
Base-Backbone interact. energy: -0.211
local terms energy: -74.826427
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -12.168
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -191.516022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.516022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516022 (E_RNA)
where:
Base-Base interactions energy: -109.699
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.017
local terms energy: -81.800454
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -12.831
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: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -180.233465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.233465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.233465 (E_RNA)
where:
Base-Base interactions energy: -103.007
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.045
local terms energy: -77.181970
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.149
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: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -182.355315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.355315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.355315 (E_RNA)
where:
Base-Base interactions energy: -118.335
where: short stacking energy: -62.621
Base-Backbone interact. energy: -0.380
local terms energy: -63.639694
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -140.212679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.212679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.212679 (E_RNA)
where:
Base-Base interactions energy: -76.550
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.386
local terms energy: -63.276649
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.191
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: 422
Temperature: 1.200000
Total energy: -134.301790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.301790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.301790 (E_RNA)
where:
Base-Base interactions energy: -70.724
where: short stacking energy: -49.049
Base-Backbone interact. energy: 0.287
local terms energy: -63.864578
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -144.639177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.639177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.639177 (E_RNA)
where:
Base-Base interactions energy: -86.058
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.067
local terms energy: -58.513548
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -96.569107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.569107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.569107 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.099
local terms energy: -57.054099
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -87.946607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.946607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.946607 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -34.975
Base-Backbone interact. energy: -0.321
local terms energy: -46.686880
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: 1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -186.550258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.550258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.550258 (E_RNA)
where:
Base-Base interactions energy: -114.826
where: short stacking energy: -57.122
Base-Backbone interact. energy: 0.399
local terms energy: -72.123127
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -12.010
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: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -185.169343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.169343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.169343 (E_RNA)
where:
Base-Base interactions energy: -104.600
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.009
local terms energy: -80.560558
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -179.820719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.820719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.820719 (E_RNA)
where:
Base-Base interactions energy: -111.782
where: short stacking energy: -61.865
Base-Backbone interact. energy: 0.686
local terms energy: -68.724359
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -191.371018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.371018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.371018 (E_RNA)
where:
Base-Base interactions energy: -120.022
where: short stacking energy: -64.785
Base-Backbone interact. energy: 0.854
local terms energy: -72.203015
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -159.758524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.758524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.758524 (E_RNA)
where:
Base-Base interactions energy: -93.612
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.438
local terms energy: -65.708271
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -152.131144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.131144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.131144 (E_RNA)
where:
Base-Base interactions energy: -82.465
where: short stacking energy: -47.449
Base-Backbone interact. energy: -0.055
local terms energy: -69.611273
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -13.402
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: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -118.078157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.078157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.078157 (E_RNA)
where:
Base-Base interactions energy: -61.363
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.228
local terms energy: -56.487136
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -131.105320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.105320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.105320 (E_RNA)
where:
Base-Base interactions energy: -75.848
where: short stacking energy: -44.769
Base-Backbone interact. energy: -0.126
local terms energy: -55.131093
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -8.739
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: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -89.270126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.270126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.270126 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -36.096
Base-Backbone interact. energy: -0.166
local terms energy: -53.008099
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -9.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -98.272053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.272053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.272053 (E_RNA)
where:
Base-Base interactions energy: -43.419
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.059
local terms energy: -54.793119
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.234
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: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -191.046640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.046640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.046640 (E_RNA)
where:
Base-Base interactions energy: -108.976
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.033
local terms energy: -82.037834
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -184.452641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.452641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452641 (E_RNA)
where:
Base-Base interactions energy: -113.046
where: short stacking energy: -58.045
Base-Backbone interact. energy: -1.043
local terms energy: -70.363869
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -10.027
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -190.086791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.086791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.086791 (E_RNA)
where:
Base-Base interactions energy: -113.705
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.285
local terms energy: -76.096299
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -184.092125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.092125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.092125 (E_RNA)
where:
Base-Base interactions energy: -118.009
where: short stacking energy: -65.670
Base-Backbone interact. energy: 0.619
local terms energy: -66.702275
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -164.387386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.387386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.387386 (E_RNA)
where:
Base-Base interactions energy: -99.558
where: short stacking energy: -50.900
Base-Backbone interact. energy: -0.251
local terms energy: -64.577791
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -12.624
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -156.773910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.773910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.773910 (E_RNA)
where:
Base-Base interactions energy: -94.478
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.061
local terms energy: -62.234705
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -147.616879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.616879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.616879 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -49.011
Base-Backbone interact. energy: -0.168
local terms energy: -66.717171
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -97.543087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543087 (E_RNA)
where:
Base-Base interactions energy: -53.084
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.107
local terms energy: -44.352273
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -7.717
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -80.294581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.294581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.294581 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.022
local terms energy: -49.719620
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -83.304557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.304557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.304557 (E_RNA)
where:
Base-Base interactions energy: -24.711
where: short stacking energy: -23.928
Base-Backbone interact. energy: -0.489
local terms energy: -58.105276
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -185.598062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.598062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.598062 (E_RNA)
where:
Base-Base interactions energy: -112.306
where: short stacking energy: -71.726
Base-Backbone interact. energy: -0.004
local terms energy: -73.288393
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -194.916126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.916126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.916126 (E_RNA)
where:
Base-Base interactions energy: -122.790
where: short stacking energy: -59.590
Base-Backbone interact. energy: 0.127
local terms energy: -72.252593
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -177.340065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.340065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.340065 (E_RNA)
where:
Base-Base interactions energy: -109.868
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.266
local terms energy: -67.206396
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -11.401
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: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -176.205914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.205914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.205914 (E_RNA)
where:
Base-Base interactions energy: -102.376
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.121
local terms energy: -73.708539
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -186.605083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.605083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.605083 (E_RNA)
where:
Base-Base interactions energy: -116.375
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.409
local terms energy: -69.821797
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -157.804951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.804951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.804951 (E_RNA)
where:
Base-Base interactions energy: -89.364
where: short stacking energy: -53.845
Base-Backbone interact. energy: 0.471
local terms energy: -68.911905
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.468
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -138.179913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.179913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.179913 (E_RNA)
where:
Base-Base interactions energy: -74.371
where: short stacking energy: -37.923
Base-Backbone interact. energy: -0.069
local terms energy: -63.739788
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -9.018
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: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -98.439531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.439531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.439531 (E_RNA)
where:
Base-Base interactions energy: -48.159
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.109
local terms energy: -50.172232
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -7.856
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: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -74.300310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.300310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.300310 (E_RNA)
where:
Base-Base interactions energy: -28.272
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.089
local terms energy: -45.939368
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -7.700
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -73.094986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.094986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.094986 (E_RNA)
where:
Base-Base interactions energy: -28.365
where: short stacking energy: -24.455
Base-Backbone interact. energy: -1.011
local terms energy: -43.719052
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -189.552202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552202 (E_RNA)
where:
Base-Base interactions energy: -112.567
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.052
local terms energy: -76.932294
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -198.174401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.174401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.174401 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.014
local terms energy: -81.105827
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -178.766289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.766289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.766289 (E_RNA)
where:
Base-Base interactions energy: -107.123
where: short stacking energy: -61.449
Base-Backbone interact. energy: -0.094
local terms energy: -71.548840
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -165.154040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.154040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.154040 (E_RNA)
where:
Base-Base interactions energy: -99.146
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.118
local terms energy: -65.889628
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -159.632408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.632408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.632408 (E_RNA)
where:
Base-Base interactions energy: -89.749
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.647
local terms energy: -69.236214
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -10.929
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: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -147.705974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.705974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.705974 (E_RNA)
where:
Base-Base interactions energy: -89.036
where: short stacking energy: -44.140
Base-Backbone interact. energy: -0.132
local terms energy: -58.538268
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -91.250410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.250410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.250410 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -35.115
Base-Backbone interact. energy: -0.354
local terms energy: -55.781638
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -5.936
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: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -142.862776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.862776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.862776 (E_RNA)
where:
Base-Base interactions energy: -94.492
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.012
local terms energy: -48.358544
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -100.959619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.959619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.959619 (E_RNA)
where:
Base-Base interactions energy: -43.488
where: short stacking energy: -43.488
Base-Backbone interact. energy: -0.005
local terms energy: -57.467179
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -6.647
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: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -79.426963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.426963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.426963 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -27.878
Base-Backbone interact. energy: -0.195
local terms energy: -51.354095
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -195.933796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.933796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.933796 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.084
local terms energy: -81.559228
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -18.943
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: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -178.663312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.663312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.663312 (E_RNA)
where:
Base-Base interactions energy: -115.095
where: short stacking energy: -65.138
Base-Backbone interact. energy: -0.001
local terms energy: -63.567264
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -3.557
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: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -195.438752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.438752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.438752 (E_RNA)
where:
Base-Base interactions energy: -120.001
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.043
local terms energy: -75.394449
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -179.721151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721151 (E_RNA)
where:
Base-Base interactions energy: -107.083
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.001
local terms energy: -72.637079
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -171.032074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.032074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.032074 (E_RNA)
where:
Base-Base interactions energy: -98.229
where: short stacking energy: -55.453
Base-Backbone interact. energy: -0.015
local terms energy: -72.788326
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.813
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: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -158.029371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.029371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.029371 (E_RNA)
where:
Base-Base interactions energy: -96.851
where: short stacking energy: -49.025
Base-Backbone interact. energy: 2.636
local terms energy: -63.814425
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -94.616832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.616832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.616832 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.072
local terms energy: -59.282994
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -10.812
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: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -94.056137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.056137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.056137 (E_RNA)
where:
Base-Base interactions energy: -40.887
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.078
local terms energy: -53.090484
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.321760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.321760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.321760 (E_RNA)
where:
Base-Base interactions energy: -31.380
where: short stacking energy: -31.380
Base-Backbone interact. energy: -0.285
local terms energy: -48.656646
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -77.434642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.434642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.434642 (E_RNA)
where:
Base-Base interactions energy: -30.895
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.239
local terms energy: -46.301143
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -3.063
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: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -198.198496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.198496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.198496 (E_RNA)
where:
Base-Base interactions energy: -115.663
where: short stacking energy: -72.016
Base-Backbone interact. energy: 0.116
local terms energy: -82.651487
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -189.876378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.876378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.876378 (E_RNA)
where:
Base-Base interactions energy: -116.791
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.019
local terms energy: -73.066131
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -188.172808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.172808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.172808 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -66.814
Base-Backbone interact. energy: -0.082
local terms energy: -70.007307
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -3.967
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: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -167.022910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.022910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.022910 (E_RNA)
where:
Base-Base interactions energy: -98.773
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.080
local terms energy: -68.169969
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -144.859271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.859271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.859271 (E_RNA)
where:
Base-Base interactions energy: -89.406
where: short stacking energy: -53.603
Base-Backbone interact. energy: 0.143
local terms energy: -55.596456
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -9.301
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: 428
Temperature: 1.150000
Total energy: -144.813688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.813688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.813688 (E_RNA)
where:
Base-Base interactions energy: -89.942
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.124
local terms energy: -54.747087
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -100.980601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.980601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.980601 (E_RNA)
where:
Base-Base interactions energy: -40.282
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.116
local terms energy: -60.582348
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -7.159
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: 428
Temperature: 1.250000
Total energy: -81.879930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879930 (E_RNA)
where:
Base-Base interactions energy: -29.610
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.119
local terms energy: -52.150782
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -89.955026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955026 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -25.485
Base-Backbone interact. energy: 1.353
local terms energy: -58.797925
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -1.789
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -91.724259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724259 (E_RNA)
where:
Base-Base interactions energy: -37.386
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.104
local terms energy: -54.234137
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -198.544479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.544479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.544479 (E_RNA)
where:
Base-Base interactions energy: -126.194
where: short stacking energy: -75.205
Base-Backbone interact. energy: -0.007
local terms energy: -72.343481
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -173.081476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.081476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.081476 (E_RNA)
where:
Base-Base interactions energy: -104.669
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.034
local terms energy: -68.377909
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -13.998
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: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -184.555884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.555884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.555884 (E_RNA)
where:
Base-Base interactions energy: -110.109
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.287
local terms energy: -74.159657
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -166.642783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.642783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.642783 (E_RNA)
where:
Base-Base interactions energy: -91.652
where: short stacking energy: -57.219
Base-Backbone interact. energy: -0.102
local terms energy: -74.889235
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -10.899
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: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -171.210869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.210869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.210869 (E_RNA)
where:
Base-Base interactions energy: -104.326
where: short stacking energy: -56.607
Base-Backbone interact. energy: -0.261
local terms energy: -66.624243
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -160.706479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.706479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.706479 (E_RNA)
where:
Base-Base interactions energy: -91.575
where: short stacking energy: -47.656
Base-Backbone interact. energy: -0.100
local terms energy: -69.031505
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.321
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: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -100.146819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.146819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.146819 (E_RNA)
where:
Base-Base interactions energy: -37.712
where: short stacking energy: -34.250
Base-Backbone interact. energy: -0.082
local terms energy: -62.352311
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -12.071
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: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -89.796865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796865 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.081
local terms energy: -53.478520
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.514
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: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -91.007173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.007173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.007173 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -37.131
Base-Backbone interact. energy: -0.036
local terms energy: -53.385620
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -5.337
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: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -80.922976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.922976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.922976 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.248
local terms energy: -49.085795
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -194.656620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.656620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.656620 (E_RNA)
where:
Base-Base interactions energy: -118.883
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.087
local terms energy: -75.686351
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -16.389
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: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -190.025744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.025744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.025744 (E_RNA)
where:
Base-Base interactions energy: -109.931
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.487
local terms energy: -79.608148
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -192.318702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.318702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.318702 (E_RNA)
where:
Base-Base interactions energy: -120.336
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.002
local terms energy: -71.980872
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.509
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: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -150.134603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.134603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.134603 (E_RNA)
where:
Base-Base interactions energy: -82.864
where: short stacking energy: -44.045
Base-Backbone interact. energy: -0.403
local terms energy: -66.867557
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -157.756739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.756739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.756739 (E_RNA)
where:
Base-Base interactions energy: -87.958
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.930
local terms energy: -68.868849
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -151.782727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.782727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.782727 (E_RNA)
where:
Base-Base interactions energy: -88.177
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.009
local terms energy: -63.595921
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -105.079629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.079629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.079629 (E_RNA)
where:
Base-Base interactions energy: -42.841
where: short stacking energy: -42.841
Base-Backbone interact. energy: -0.017
local terms energy: -62.222052
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -6.337
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: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -97.809519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.809519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.809519 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -39.227
Base-Backbone interact. energy: -0.010
local terms energy: -58.573143
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -95.396700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.396700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.396700 (E_RNA)
where:
Base-Base interactions energy: -46.817
where: short stacking energy: -29.265
Base-Backbone interact. energy: 0.047
local terms energy: -48.626539
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: 0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -75.266699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.266699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.266699 (E_RNA)
where:
Base-Base interactions energy: -35.640
where: short stacking energy: -29.029
Base-Backbone interact. energy: -0.822
local terms energy: -38.805341
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -190.226264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.226264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.226264 (E_RNA)
where:
Base-Base interactions energy: -123.030
where: short stacking energy: -62.611
Base-Backbone interact. energy: -0.122
local terms energy: -67.073623
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -12.712
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -198.303746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.303746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.303746 (E_RNA)
where:
Base-Base interactions energy: -118.748
where: short stacking energy: -71.614
Base-Backbone interact. energy: -0.101
local terms energy: -79.455078
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -20.261
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: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -189.393502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.393502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393502 (E_RNA)
where:
Base-Base interactions energy: -114.445
where: short stacking energy: -69.741
Base-Backbone interact. energy: -0.512
local terms energy: -74.436485
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -8.772
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: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -154.448118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.448118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.448118 (E_RNA)
where:
Base-Base interactions energy: -93.848
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.176
local terms energy: -60.424032
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -9.113
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: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -166.922366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.922366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.922366 (E_RNA)
where:
Base-Base interactions energy: -101.577
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.001
local terms energy: -65.344977
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -151.656017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.656017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.656017 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.672
local terms energy: -59.312345
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -92.127021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.127021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.127021 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -23.899
Base-Backbone interact. energy: -0.270
local terms energy: -52.858830
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: 3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -85.944261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.944261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.944261 (E_RNA)
where:
Base-Base interactions energy: -30.058
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.036
local terms energy: -55.850162
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -82.970602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970602 (E_RNA)
where:
Base-Base interactions energy: -28.402
where: short stacking energy: -28.105
Base-Backbone interact. energy: 0.384
local terms energy: -54.952717
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -82.030648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030648 (E_RNA)
where:
Base-Base interactions energy: -27.650
where: short stacking energy: -27.650
Base-Backbone interact. energy: -0.181
local terms energy: -54.200258
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -197.263644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.263644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.263644 (E_RNA)
where:
Base-Base interactions energy: -118.918
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.051
local terms energy: -78.295163
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -8.557
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: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -199.944031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.944031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.944031 (E_RNA)
where:
Base-Base interactions energy: -121.905
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.013
local terms energy: -78.026555
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -179.124025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.124025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.124025 (E_RNA)
where:
Base-Base interactions energy: -108.836
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.018
local terms energy: -70.269870
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -163.654674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.654674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.654674 (E_RNA)
where:
Base-Base interactions energy: -88.550
where: short stacking energy: -55.901
Base-Backbone interact. energy: -0.115
local terms energy: -74.989905
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -11.810
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: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -157.617640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.617640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.617640 (E_RNA)
where:
Base-Base interactions energy: -88.633
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.108
local terms energy: -68.877144
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.408
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: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -155.594508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.594508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.594508 (E_RNA)
where:
Base-Base interactions energy: -91.315
where: short stacking energy: -41.401
Base-Backbone interact. energy: -0.318
local terms energy: -63.961388
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -98.889730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.889730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.889730 (E_RNA)
where:
Base-Base interactions energy: -48.058
where: short stacking energy: -48.058
Base-Backbone interact. energy: -0.008
local terms energy: -50.823336
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -5.979
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: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -129.813101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.813101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.813101 (E_RNA)
where:
Base-Base interactions energy: -64.514
where: short stacking energy: -41.188
Base-Backbone interact. energy: -0.006
local terms energy: -65.292652
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -9.834
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: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -85.025831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025831 (E_RNA)
where:
Base-Base interactions energy: -34.990
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.039
local terms energy: -49.997136
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -7.876
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -87.098621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.098621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.098621 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.146
local terms energy: -57.775247
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -207.658318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.658318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.658318 (E_RNA)
where:
Base-Base interactions energy: -130.964
where: short stacking energy: -76.058
Base-Backbone interact. energy: 0.785
local terms energy: -77.479678
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -187.981986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.981986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.981986 (E_RNA)
where:
Base-Base interactions energy: -108.194
where: short stacking energy: -59.646
Base-Backbone interact. energy: -0.280
local terms energy: -79.507722
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -17.179
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -169.835815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.835815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.835815 (E_RNA)
where:
Base-Base interactions energy: -104.843
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.024
local terms energy: -64.969247
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -13.435
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -177.084727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.084727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.084727 (E_RNA)
where:
Base-Base interactions energy: -108.670
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.173
local terms energy: -68.241994
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -165.251686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.251686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.251686 (E_RNA)
where:
Base-Base interactions energy: -94.445
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.023
local terms energy: -70.783528
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -151.550741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.550741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.550741 (E_RNA)
where:
Base-Base interactions energy: -88.656
where: short stacking energy: -41.568
Base-Backbone interact. energy: -1.320
local terms energy: -61.574887
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -98.165089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.165089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.165089 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -39.568
Base-Backbone interact. energy: -0.001
local terms energy: -58.596071
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -79.979220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.979220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.979220 (E_RNA)
where:
Base-Base interactions energy: -26.664
where: short stacking energy: -26.964
Base-Backbone interact. energy: -0.188
local terms energy: -53.126655
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: 0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -93.955435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.955435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.955435 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.660
local terms energy: -52.972961
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -79.082925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.082925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.082925 (E_RNA)
where:
Base-Base interactions energy: -33.265
where: short stacking energy: -31.899
Base-Backbone interact. energy: 2.337
local terms energy: -48.154835
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -198.505744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.505744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.505744 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.058
local terms energy: -78.332891
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -209.900427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.900427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.900427 (E_RNA)
where:
Base-Base interactions energy: -127.025
where: short stacking energy: -74.011
Base-Backbone interact. energy: -0.052
local terms energy: -82.822871
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -10.020
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: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -165.805279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.805279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.805279 (E_RNA)
where:
Base-Base interactions energy: -91.751
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.366
local terms energy: -73.688071
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.357
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: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -148.174100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.174100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.174100 (E_RNA)
where:
Base-Base interactions energy: -89.892
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.232
local terms energy: -58.050404
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -174.112943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.112943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.112943 (E_RNA)
where:
Base-Base interactions energy: -97.376
where: short stacking energy: -54.825
Base-Backbone interact. energy: -0.020
local terms energy: -76.716144
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -15.272
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: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -131.421861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.421861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.421861 (E_RNA)
where:
Base-Base interactions energy: -71.256
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.054
local terms energy: -60.111617
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -8.305
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -103.107711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.107711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.107711 (E_RNA)
where:
Base-Base interactions energy: -48.252
where: short stacking energy: -36.169
Base-Backbone interact. energy: -0.061
local terms energy: -54.795148
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -118.992141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.992141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.992141 (E_RNA)
where:
Base-Base interactions energy: -62.975
where: short stacking energy: -18.586
Base-Backbone interact. energy: -0.707
local terms energy: -55.310023
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: 4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -88.835606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.835606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.835606 (E_RNA)
where:
Base-Base interactions energy: -34.384
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.070
local terms energy: -54.381602
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -84.777243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777243 (E_RNA)
where:
Base-Base interactions energy: -28.310
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.185
local terms energy: -56.282995
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -207.481161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.481161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.481161 (E_RNA)
where:
Base-Base interactions energy: -127.483
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.043
local terms energy: -79.955391
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -207.976478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.976478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.976478 (E_RNA)
where:
Base-Base interactions energy: -129.879
where: short stacking energy: -79.782
Base-Backbone interact. energy: -0.095
local terms energy: -78.002159
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -165.485271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.485271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.485271 (E_RNA)
where:
Base-Base interactions energy: -93.017
where: short stacking energy: -49.784
Base-Backbone interact. energy: -0.086
local terms energy: -72.382982
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -173.155714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.155714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.155714 (E_RNA)
where:
Base-Base interactions energy: -107.559
where: short stacking energy: -61.464
Base-Backbone interact. energy: -0.201
local terms energy: -65.395886
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -157.395748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.395748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.395748 (E_RNA)
where:
Base-Base interactions energy: -90.573
where: short stacking energy: -42.426
Base-Backbone interact. energy: -0.468
local terms energy: -66.354704
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -105.556768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.556768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.556768 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -44.126
Base-Backbone interact. energy: -0.226
local terms energy: -59.594917
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -133.246827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.246827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.246827 (E_RNA)
where:
Base-Base interactions energy: -72.149
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.099
local terms energy: -60.998900
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -133.421054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.421054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.421054 (E_RNA)
where:
Base-Base interactions energy: -80.879
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.362
local terms energy: -52.179521
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -2.128
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -79.248010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.248010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.248010 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -35.442
Base-Backbone interact. energy: -0.113
local terms energy: -43.693816
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -83.154913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.154913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.154913 (E_RNA)
where:
Base-Base interactions energy: -33.268
where: short stacking energy: -18.282
Base-Backbone interact. energy: -0.220
local terms energy: -49.667373
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: 5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -194.415078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.415078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.415078 (E_RNA)
where:
Base-Base interactions energy: -120.437
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.109
local terms energy: -73.869625
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -196.626165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.626165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.626165 (E_RNA)
where:
Base-Base interactions energy: -115.454
where: short stacking energy: -74.717
Base-Backbone interact. energy: -0.076
local terms energy: -81.095677
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -22.065
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -187.068327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.068327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.068327 (E_RNA)
where:
Base-Base interactions energy: -115.091
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.014
local terms energy: -71.962802
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -164.025947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.025947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.025947 (E_RNA)
where:
Base-Base interactions energy: -97.399
where: short stacking energy: -47.788
Base-Backbone interact. energy: 0.188
local terms energy: -66.814749
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -12.270
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: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -163.811167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.811167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.811167 (E_RNA)
where:
Base-Base interactions energy: -92.311
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.024
local terms energy: -71.476187
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -6.250
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: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -103.891369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.891369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.891369 (E_RNA)
where:
Base-Base interactions energy: -50.926
where: short stacking energy: -42.144
Base-Backbone interact. energy: -0.493
local terms energy: -52.473290
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -160.870934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.870934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.870934 (E_RNA)
where:
Base-Base interactions energy: -96.761
where: short stacking energy: -40.576
Base-Backbone interact. energy: -0.128
local terms energy: -63.982218
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -123.292385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.292385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.292385 (E_RNA)
where:
Base-Base interactions energy: -56.486
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.180
local terms energy: -66.626563
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -88.393440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.393440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.393440 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.508
local terms energy: -53.918704
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -10.907
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -97.359237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.359237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.359237 (E_RNA)
where:
Base-Base interactions energy: -53.546
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.323
local terms energy: -43.489938
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -195.008151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.008151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.008151 (E_RNA)
where:
Base-Base interactions energy: -125.022
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.001
local terms energy: -69.984739
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -185.477147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.477147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.477147 (E_RNA)
where:
Base-Base interactions energy: -115.011
where: short stacking energy: -64.939
Base-Backbone interact. energy: -0.173
local terms energy: -70.293581
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -173.362157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.362157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.362157 (E_RNA)
where:
Base-Base interactions energy: -103.437
where: short stacking energy: -51.875
Base-Backbone interact. energy: 1.471
local terms energy: -71.395776
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -159.179407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.179407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.179407 (E_RNA)
where:
Base-Base interactions energy: -93.155
where: short stacking energy: -59.954
Base-Backbone interact. energy: 1.391
local terms energy: -67.415382
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -161.041971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.041971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.041971 (E_RNA)
where:
Base-Base interactions energy: -99.015
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.684
local terms energy: -61.342364
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -143.252880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.252880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.252880 (E_RNA)
where:
Base-Base interactions energy: -83.488
where: short stacking energy: -37.212
Base-Backbone interact. energy: -0.190
local terms energy: -59.574831
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -91.097784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097784 (E_RNA)
where:
Base-Base interactions energy: -34.025
where: short stacking energy: -27.775
Base-Backbone interact. energy: 0.416
local terms energy: -57.489093
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -5.974
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: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -93.273899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.273899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.273899 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -38.721
Base-Backbone interact. energy: -1.780
local terms energy: -52.772532
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -93.248385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.248385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.248385 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -33.257
Base-Backbone interact. energy: -0.037
local terms energy: -59.954459
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -77.072503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.072503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.072503 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -34.020
Base-Backbone interact. energy: 0.102
local terms energy: -43.154557
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -208.070544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.070544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070544 (E_RNA)
where:
Base-Base interactions energy: -140.374
where: short stacking energy: -74.511
Base-Backbone interact. energy: 0.827
local terms energy: -68.523711
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -8.669
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: 438
Temperature: 0.950000
Total energy: -190.093423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.093423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.093423 (E_RNA)
where:
Base-Base interactions energy: -112.555
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.006
local terms energy: -77.532803
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -179.956820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956820 (E_RNA)
where:
Base-Base interactions energy: -107.743
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.070
local terms energy: -72.144327
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -161.666287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.666287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.666287 (E_RNA)
where:
Base-Base interactions energy: -93.703
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.136
local terms energy: -67.827062
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -154.062380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.062380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.062380 (E_RNA)
where:
Base-Base interactions energy: -89.916
where: short stacking energy: -53.390
Base-Backbone interact. energy: 0.048
local terms energy: -64.194591
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -17.226
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: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -161.043201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.043201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.043201 (E_RNA)
where:
Base-Base interactions energy: -90.036
where: short stacking energy: -45.839
Base-Backbone interact. energy: -0.081
local terms energy: -70.925304
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -13.078
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: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -96.107294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.107294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.107294 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -41.986
Base-Backbone interact. energy: -0.216
local terms energy: -50.009013
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -118.401664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.401664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.401664 (E_RNA)
where:
Base-Base interactions energy: -61.364
where: short stacking energy: -34.660
Base-Backbone interact. energy: -0.055
local terms energy: -56.982911
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -85.757942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.757942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.757942 (E_RNA)
where:
Base-Base interactions energy: -35.205
where: short stacking energy: -27.510
Base-Backbone interact. energy: -0.530
local terms energy: -50.022071
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -3.695
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: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -89.603121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.603121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.603121 (E_RNA)
where:
Base-Base interactions energy: -43.844
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.133
local terms energy: -45.626565
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -0.406
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -208.897709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.897709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.897709 (E_RNA)
where:
Base-Base interactions energy: -133.556
where: short stacking energy: -71.240
Base-Backbone interact. energy: -0.006
local terms energy: -75.335400
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -177.668762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.668762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.668762 (E_RNA)
where:
Base-Base interactions energy: -102.659
where: short stacking energy: -70.853
Base-Backbone interact. energy: -0.020
local terms energy: -74.989639
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -183.706773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.706773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.706773 (E_RNA)
where:
Base-Base interactions energy: -108.745
where: short stacking energy: -55.710
Base-Backbone interact. energy: -0.302
local terms energy: -74.659901
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -15.499
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: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -167.393646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.393646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393646 (E_RNA)
where:
Base-Base interactions energy: -96.896
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.083
local terms energy: -70.415224
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -155.104641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.104641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.104641 (E_RNA)
where:
Base-Base interactions energy: -86.246
where: short stacking energy: -38.338
Base-Backbone interact. energy: -0.103
local terms energy: -68.756252
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -167.236438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.236438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.236438 (E_RNA)
where:
Base-Base interactions energy: -99.994
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.938
local terms energy: -66.304175
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -106.943889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.943889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.943889 (E_RNA)
where:
Base-Base interactions energy: -47.269
where: short stacking energy: -47.269
Base-Backbone interact. energy: -0.154
local terms energy: -59.521025
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -94.036480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.036480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.036480 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.002
local terms energy: -48.926932
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -5.937
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: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -131.764389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.764389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.764389 (E_RNA)
where:
Base-Base interactions energy: -69.798
where: short stacking energy: -40.036
Base-Backbone interact. energy: -0.293
local terms energy: -61.673700
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -8.251
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.907789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.907789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.907789 (E_RNA)
where:
Base-Base interactions energy: -25.184
where: short stacking energy: -25.184
Base-Backbone interact. energy: -1.902
local terms energy: -46.822123
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: 3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -195.264880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.264880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.264880 (E_RNA)
where:
Base-Base interactions energy: -113.284
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.084
local terms energy: -81.896571
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -207.453769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.453769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.453769 (E_RNA)
where:
Base-Base interactions energy: -131.444
where: short stacking energy: -80.609
Base-Backbone interact. energy: -0.088
local terms energy: -75.921828
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -6.320
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -175.431927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.431927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.431927 (E_RNA)
where:
Base-Base interactions energy: -98.934
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.004
local terms energy: -76.493819
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -161.260529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.260529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.260529 (E_RNA)
where:
Base-Base interactions energy: -94.702
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.185
local terms energy: -66.372876
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -166.736276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.736276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.736276 (E_RNA)
where:
Base-Base interactions energy: -97.692
where: short stacking energy: -51.352
Base-Backbone interact. energy: -0.061
local terms energy: -68.983452
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -13.832
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: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -164.739855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.739855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.739855 (E_RNA)
where:
Base-Base interactions energy: -96.514
where: short stacking energy: -61.473
Base-Backbone interact. energy: 3.355
local terms energy: -71.581191
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -18.210
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: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -94.156737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.156737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.156737 (E_RNA)
where:
Base-Base interactions energy: -41.873
where: short stacking energy: -39.167
Base-Backbone interact. energy: 3.072
local terms energy: -55.355818
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -5.557
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: 440
Temperature: 1.250000
Total energy: -87.434296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.434296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.434296 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.153
local terms energy: -59.084534
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -106.123148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.123148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.123148 (E_RNA)
where:
Base-Base interactions energy: -50.473
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.174
local terms energy: -55.475652
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -110.515559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.515559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.515559 (E_RNA)
where:
Base-Base interactions energy: -62.126
where: short stacking energy: -34.472
Base-Backbone interact. energy: 0.704
local terms energy: -49.093452
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -181.870804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.870804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.870804 (E_RNA)
where:
Base-Base interactions energy: -99.897
where: short stacking energy: -60.028
Base-Backbone interact. energy: 0.036
local terms energy: -82.009738
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -185.330711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.330711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.330711 (E_RNA)
where:
Base-Base interactions energy: -107.122
where: short stacking energy: -62.898
Base-Backbone interact. energy: -0.003
local terms energy: -78.205876
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -195.212548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.212548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.212548 (E_RNA)
where:
Base-Base interactions energy: -120.698
where: short stacking energy: -72.312
Base-Backbone interact. energy: 0.701
local terms energy: -75.215966
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -168.124482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.124482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.124482 (E_RNA)
where:
Base-Base interactions energy: -98.249
where: short stacking energy: -52.018
Base-Backbone interact. energy: -0.062
local terms energy: -69.813305
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.593
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: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -164.908511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.908511 (E_RNA)
where:
Base-Base interactions energy: -104.148
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.092
local terms energy: -60.667917
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: -9.831
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: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -154.485237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.485237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.485237 (E_RNA)
where:
Base-Base interactions energy: -92.503
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.501
local terms energy: -61.480953
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -94.617377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617377 (E_RNA)
where:
Base-Base interactions energy: -40.671
where: short stacking energy: -40.671
Base-Backbone interact. energy: -0.083
local terms energy: -53.863248
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -89.890332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.890332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.890332 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -27.806
Base-Backbone interact. energy: 0.332
local terms energy: -53.467392
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -1.948
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -105.937238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.937238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.937238 (E_RNA)
where:
Base-Base interactions energy: -53.454
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.025
local terms energy: -52.458594
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -10.648
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: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -91.536742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.536742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.536742 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -25.726
Base-Backbone interact. energy: -0.071
local terms energy: -42.452802
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: 3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -194.519351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.519351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.519351 (E_RNA)
where:
Base-Base interactions energy: -110.597
where: short stacking energy: -66.392
Base-Backbone interact. energy: 0.655
local terms energy: -84.577754
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -174.728211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.728211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.728211 (E_RNA)
where:
Base-Base interactions energy: -106.137
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.092
local terms energy: -68.499855
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.415
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: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -190.151835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.151835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.151835 (E_RNA)
where:
Base-Base interactions energy: -114.865
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.003
local terms energy: -75.283838
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -164.368205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.368205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.368205 (E_RNA)
where:
Base-Base interactions energy: -98.903
where: short stacking energy: -50.370
Base-Backbone interact. energy: -0.043
local terms energy: -65.421912
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -154.800330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.800330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.800330 (E_RNA)
where:
Base-Base interactions energy: -101.063
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.101
local terms energy: -53.636158
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -169.778987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.778987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.778987 (E_RNA)
where:
Base-Base interactions energy: -103.738
where: short stacking energy: -55.474
Base-Backbone interact. energy: -0.171
local terms energy: -65.870426
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -98.293647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.293647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.293647 (E_RNA)
where:
Base-Base interactions energy: -41.991
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.141
local terms energy: -56.161251
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -12.300
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -93.333210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.333210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.333210 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -36.196
Base-Backbone interact. energy: 0.106
local terms energy: -57.243728
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -86.290585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290585 (E_RNA)
where:
Base-Base interactions energy: -36.359
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.026
local terms energy: -49.905019
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -5.323
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: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -86.733685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.733685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.733685 (E_RNA)
where:
Base-Base interactions energy: -46.367
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.247
local terms energy: -40.119648
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -3.974
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: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -181.041241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.041241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.041241 (E_RNA)
where:
Base-Base interactions energy: -107.364
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.002
local terms energy: -73.675811
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -17.320
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: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -207.809099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.809099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.809099 (E_RNA)
where:
Base-Base interactions energy: -128.155
where: short stacking energy: -63.713
Base-Backbone interact. energy: -0.007
local terms energy: -79.647829
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -186.260746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.260746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.260746 (E_RNA)
where:
Base-Base interactions energy: -120.243
where: short stacking energy: -65.978
Base-Backbone interact. energy: -1.293
local terms energy: -64.725010
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -169.703049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.703049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.703049 (E_RNA)
where:
Base-Base interactions energy: -107.152
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.069
local terms energy: -62.482003
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -13.471
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: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -154.228544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.228544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.228544 (E_RNA)
where:
Base-Base interactions energy: -94.324
where: short stacking energy: -49.621
Base-Backbone interact. energy: 3.625
local terms energy: -63.529740
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -148.731462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.731462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.731462 (E_RNA)
where:
Base-Base interactions energy: -89.433
where: short stacking energy: -43.392
Base-Backbone interact. energy: -0.257
local terms energy: -59.041838
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -93.461005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.461005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.461005 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -22.653
Base-Backbone interact. energy: -0.344
local terms energy: -60.478259
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.430
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: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -106.274961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.274961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.274961 (E_RNA)
where:
Base-Base interactions energy: -48.030
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.168
local terms energy: -58.076542
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -84.723352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.723352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.723352 (E_RNA)
where:
Base-Base interactions energy: -30.247
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.045
local terms energy: -54.431445
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.740497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.740497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.740497 (E_RNA)
where:
Base-Base interactions energy: -29.991
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.082
local terms energy: -51.666803
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -208.661041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.661041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.661041 (E_RNA)
where:
Base-Base interactions energy: -129.541
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.107
local terms energy: -79.013378
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -23.782
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -192.795324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.795324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.795324 (E_RNA)
where:
Base-Base interactions energy: -119.533
where: short stacking energy: -70.662
Base-Backbone interact. energy: -0.031
local terms energy: -73.231311
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -179.669906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669906 (E_RNA)
where:
Base-Base interactions energy: -109.940
where: short stacking energy: -65.344
Base-Backbone interact. energy: -0.020
local terms energy: -69.710186
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -188.971242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.971242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.971242 (E_RNA)
where:
Base-Base interactions energy: -111.432
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.040
local terms energy: -77.499584
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.206
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: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -154.629648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.629648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.629648 (E_RNA)
where:
Base-Base interactions energy: -91.948
where: short stacking energy: -42.561
Base-Backbone interact. energy: -1.007
local terms energy: -61.673799
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -4.564
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -148.915875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.915875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.915875 (E_RNA)
where:
Base-Base interactions energy: -83.482
where: short stacking energy: -49.924
Base-Backbone interact. energy: -0.181
local terms energy: -65.253034
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -110.140815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.140815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.140815 (E_RNA)
where:
Base-Base interactions energy: -47.148
where: short stacking energy: -34.146
Base-Backbone interact. energy: -0.133
local terms energy: -62.859204
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -8.426
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: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -98.955049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.955049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.955049 (E_RNA)
where:
Base-Base interactions energy: -45.851
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.899
local terms energy: -52.205536
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -85.257559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.257559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.257559 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.042
local terms energy: -49.896810
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -83.412594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.412594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.412594 (E_RNA)
where:
Base-Base interactions energy: -28.789
where: short stacking energy: -28.789
Base-Backbone interact. energy: 0.018
local terms energy: -54.642376
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -6.561
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: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -190.556530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.556530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.556530 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.087
local terms energy: -80.517690
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -17.610
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: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -192.001470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.001470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.001470 (E_RNA)
where:
Base-Base interactions energy: -114.398
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.063
local terms energy: -77.540969
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.170
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: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -190.551816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.551816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.551816 (E_RNA)
where:
Base-Base interactions energy: -115.271
where: short stacking energy: -58.232
Base-Backbone interact. energy: 0.200
local terms energy: -75.480984
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -159.857170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.857170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.857170 (E_RNA)
where:
Base-Base interactions energy: -94.460
where: short stacking energy: -54.998
Base-Backbone interact. energy: -0.068
local terms energy: -65.329527
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -163.904644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.904644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.904644 (E_RNA)
where:
Base-Base interactions energy: -99.950
where: short stacking energy: -51.546
Base-Backbone interact. energy: -0.557
local terms energy: -63.398039
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -145.294204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.294204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.294204 (E_RNA)
where:
Base-Base interactions energy: -87.724
where: short stacking energy: -42.537
Base-Backbone interact. energy: -0.896
local terms energy: -56.674694
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -7.509
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: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -114.752201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.752201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.752201 (E_RNA)
where:
Base-Base interactions energy: -46.763
where: short stacking energy: -46.493
Base-Backbone interact. energy: -0.170
local terms energy: -67.819546
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -93.571867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.571867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.571867 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -31.677
Base-Backbone interact. energy: -0.093
local terms energy: -60.488730
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -85.782507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.782507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.782507 (E_RNA)
where:
Base-Base interactions energy: -31.493
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.387
local terms energy: -53.902022
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -1.976
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: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -86.175608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.175608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.175608 (E_RNA)
where:
Base-Base interactions energy: -30.235
where: short stacking energy: -30.235
Base-Backbone interact. energy: -0.117
local terms energy: -55.824518
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -196.413886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.413886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.413886 (E_RNA)
where:
Base-Base interactions energy: -115.746
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.003
local terms energy: -80.664753
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -196.296922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.296922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.296922 (E_RNA)
where:
Base-Base interactions energy: -123.763
where: short stacking energy: -57.338
Base-Backbone interact. energy: -0.179
local terms energy: -72.355440
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -174.394802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.394802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.394802 (E_RNA)
where:
Base-Base interactions energy: -108.809
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.011
local terms energy: -65.574602
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -173.021330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.021330 (E_RNA)
where:
Base-Base interactions energy: -103.111
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.180
local terms energy: -69.730378
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -147.091273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.091273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.091273 (E_RNA)
where:
Base-Base interactions energy: -87.523
where: short stacking energy: -52.350
Base-Backbone interact. energy: -1.039
local terms energy: -58.529492
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -168.869561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.869561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.869561 (E_RNA)
where:
Base-Base interactions energy: -97.673
where: short stacking energy: -58.414
Base-Backbone interact. energy: 0.421
local terms energy: -71.616606
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -11.957
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: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -101.526522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.526522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.526522 (E_RNA)
where:
Base-Base interactions energy: -41.662
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.017
local terms energy: -59.847808
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -82.088896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.088896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.088896 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -29.514
Base-Backbone interact. energy: -0.164
local terms energy: -51.246808
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -6.522
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: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -91.751745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751745 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -22.722
Base-Backbone interact. energy: -0.333
local terms energy: -55.596222
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -78.402222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.402222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.402222 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.174
local terms energy: -44.126875
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -185.554412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.554412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.554412 (E_RNA)
where:
Base-Base interactions energy: -115.764
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.573
local terms energy: -69.217268
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -8.985
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: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -203.727736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727736 (E_RNA)
where:
Base-Base interactions energy: -127.567
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.719
local terms energy: -75.442400
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -183.558687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.558687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.558687 (E_RNA)
where:
Base-Base interactions energy: -113.206
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.011
local terms energy: -70.340849
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -164.364818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.364818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.364818 (E_RNA)
where:
Base-Base interactions energy: -101.134
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.113
local terms energy: -63.117846
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -10.187
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: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -152.038999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.038999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.038999 (E_RNA)
where:
Base-Base interactions energy: -81.957
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.039
local terms energy: -70.042750
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -137.654044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.654044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.654044 (E_RNA)
where:
Base-Base interactions energy: -78.422
where: short stacking energy: -38.188
Base-Backbone interact. energy: -0.088
local terms energy: -59.144930
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -8.138
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: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -102.012500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.012500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.012500 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.066
local terms energy: -68.647315
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -85.226796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.226796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.226796 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -31.833
Base-Backbone interact. energy: -0.450
local terms energy: -52.083105
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -77.659638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.659638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.659638 (E_RNA)
where:
Base-Base interactions energy: -26.700
where: short stacking energy: -26.700
Base-Backbone interact. energy: -0.270
local terms energy: -50.689457
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: 2.458
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -82.994717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.994717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.994717 (E_RNA)
where:
Base-Base interactions energy: -26.310
where: short stacking energy: -26.310
Base-Backbone interact. energy: -0.027
local terms energy: -56.657661
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -208.110343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.110343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.110343 (E_RNA)
where:
Base-Base interactions energy: -129.373
where: short stacking energy: -70.020
Base-Backbone interact. energy: 0.109
local terms energy: -78.845871
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -182.727538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.727538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.727538 (E_RNA)
where:
Base-Base interactions energy: -107.596
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.021
local terms energy: -75.110028
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -15.680
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: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -175.302778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.302778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.302778 (E_RNA)
where:
Base-Base interactions energy: -110.256
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.209
local terms energy: -64.838057
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -178.531190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531190 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.036
local terms energy: -63.065791
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -13.238
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: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -165.298523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.298523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.298523 (E_RNA)
where:
Base-Base interactions energy: -91.834
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.081
local terms energy: -73.383238
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.858
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: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -154.613415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.613415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.613415 (E_RNA)
where:
Base-Base interactions energy: -92.072
where: short stacking energy: -50.653
Base-Backbone interact. energy: -0.955
local terms energy: -61.585879
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -102.822188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.822188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.822188 (E_RNA)
where:
Base-Base interactions energy: -51.535
where: short stacking energy: -51.535
Base-Backbone interact. energy: -0.620
local terms energy: -50.666812
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -92.053954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.053954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.053954 (E_RNA)
where:
Base-Base interactions energy: -37.104
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.039
local terms energy: -54.910207
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -82.722180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.722180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.722180 (E_RNA)
where:
Base-Base interactions energy: -24.012
where: short stacking energy: -24.012
Base-Backbone interact. energy: -0.073
local terms energy: -58.637377
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -81.734003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.734003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.734003 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -16.625
Base-Backbone interact. energy: -0.180
local terms energy: -55.020109
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: 3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -204.623371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.623371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.623371 (E_RNA)
where:
Base-Base interactions energy: -127.640
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.154
local terms energy: -76.829901
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -189.474970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.474970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.474970 (E_RNA)
where:
Base-Base interactions energy: -115.146
where: short stacking energy: -63.844
Base-Backbone interact. energy: -0.565
local terms energy: -73.764218
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -9.644
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: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -185.143929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.143929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.143929 (E_RNA)
where:
Base-Base interactions energy: -115.164
where: short stacking energy: -53.686
Base-Backbone interact. energy: -0.291
local terms energy: -69.689792
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -175.751063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.751063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.751063 (E_RNA)
where:
Base-Base interactions energy: -107.734
where: short stacking energy: -62.507
Base-Backbone interact. energy: -0.197
local terms energy: -67.819827
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -14.197
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: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -178.566570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.566570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.566570 (E_RNA)
where:
Base-Base interactions energy: -109.188
where: short stacking energy: -47.207
Base-Backbone interact. energy: -1.267
local terms energy: -68.112238
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -11.387
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: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -157.271636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.271636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.271636 (E_RNA)
where:
Base-Base interactions energy: -93.669
where: short stacking energy: -54.514
Base-Backbone interact. energy: 0.591
local terms energy: -64.192986
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.847
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: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -97.952809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.952809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.952809 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -37.872
Base-Backbone interact. energy: 0.294
local terms energy: -60.374893
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -83.834042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.834042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.834042 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.132
local terms energy: -54.525041
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -84.308852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.308852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.308852 (E_RNA)
where:
Base-Base interactions energy: -29.519
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.020
local terms energy: -54.769989
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -84.749618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.749618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.749618 (E_RNA)
where:
Base-Base interactions energy: -33.482
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.155
local terms energy: -51.112146
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -208.534803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.534803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.534803 (E_RNA)
where:
Base-Base interactions energy: -123.779
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.156
local terms energy: -84.599526
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -199.447573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.447573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.447573 (E_RNA)
where:
Base-Base interactions energy: -114.970
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.006
local terms energy: -84.472170
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -178.382595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.382595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.382595 (E_RNA)
where:
Base-Base interactions energy: -108.724
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.084
local terms energy: -69.574809
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -174.657121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.657121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.657121 (E_RNA)
where:
Base-Base interactions energy: -99.496
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.012
local terms energy: -75.148869
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -16.922
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: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -166.739004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.739004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.739004 (E_RNA)
where:
Base-Base interactions energy: -103.208
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.125
local terms energy: -63.405636
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -167.835136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.835136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.835136 (E_RNA)
where:
Base-Base interactions energy: -105.354
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.065
local terms energy: -62.416388
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -81.451031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.451031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.451031 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -23.434
Base-Backbone interact. energy: -1.350
local terms energy: -45.265602
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -93.308035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.308035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.308035 (E_RNA)
where:
Base-Base interactions energy: -39.786
where: short stacking energy: -39.786
Base-Backbone interact. energy: -0.165
local terms energy: -53.357734
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -84.500730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.500730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.500730 (E_RNA)
where:
Base-Base interactions energy: -32.821
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.006
local terms energy: -51.673751
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -92.762803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.762803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.762803 (E_RNA)
where:
Base-Base interactions energy: -30.278
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.017
local terms energy: -62.468519
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -204.971556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.971556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.971556 (E_RNA)
where:
Base-Base interactions energy: -128.996
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.160
local terms energy: -75.816012
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -12.717
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: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -202.550392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.550392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.550392 (E_RNA)
where:
Base-Base interactions energy: -122.122
where: short stacking energy: -78.471
Base-Backbone interact. energy: -0.003
local terms energy: -80.425285
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -188.079266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.079266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.079266 (E_RNA)
where:
Base-Base interactions energy: -107.120
where: short stacking energy: -69.125
Base-Backbone interact. energy: -0.528
local terms energy: -80.431162
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -18.812
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: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -162.942488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.942488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.942488 (E_RNA)
where:
Base-Base interactions energy: -95.376
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.205
local terms energy: -67.360998
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -179.422311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.422311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.422311 (E_RNA)
where:
Base-Base interactions energy: -109.494
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.091
local terms energy: -69.838049
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -166.000067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.000067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.000067 (E_RNA)
where:
Base-Base interactions energy: -105.171
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.009
local terms energy: -60.819954
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -92.629012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.629012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.629012 (E_RNA)
where:
Base-Base interactions energy: -37.404
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.340
local terms energy: -54.884504
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -115.182656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.182656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.182656 (E_RNA)
where:
Base-Base interactions energy: -56.505
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.186
local terms energy: -58.491485
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -8.906
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -82.352977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.352977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.352977 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -30.954
Base-Backbone interact. energy: 0.546
local terms energy: -52.445578
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -76.518360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.518360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.518360 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -35.209
Base-Backbone interact. energy: 3.912
local terms energy: -45.220872
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -210.927410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.927410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.927410 (E_RNA)
where:
Base-Base interactions energy: -123.365
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.026
local terms energy: -87.536590
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -214.867318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.867318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.867318 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.767
local terms energy: -77.599920
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -175.951433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.951433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.951433 (E_RNA)
where:
Base-Base interactions energy: -101.000
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.074
local terms energy: -74.877132
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -186.123140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.123140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.123140 (E_RNA)
where:
Base-Base interactions energy: -105.205
where: short stacking energy: -64.058
Base-Backbone interact. energy: -0.007
local terms energy: -80.911210
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -163.213929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.213929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.213929 (E_RNA)
where:
Base-Base interactions energy: -89.581
where: short stacking energy: -44.775
Base-Backbone interact. energy: -0.127
local terms energy: -73.506764
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -153.482582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.482582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.482582 (E_RNA)
where:
Base-Base interactions energy: -86.349
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.289
local terms energy: -66.844324
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -143.440101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.440101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.440101 (E_RNA)
where:
Base-Base interactions energy: -93.848
where: short stacking energy: -49.994
Base-Backbone interact. energy: -0.435
local terms energy: -49.157268
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -11.180
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -88.714377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.714377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.714377 (E_RNA)
where:
Base-Base interactions energy: -31.967
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.167
local terms energy: -56.579918
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -13.520
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: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -80.484076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.484076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.484076 (E_RNA)
where:
Base-Base interactions energy: -28.424
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.120
local terms energy: -51.940187
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: 0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -85.634793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.634793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.634793 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -27.372
Base-Backbone interact. energy: -0.149
local terms energy: -54.243126
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -205.712643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.712643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.712643 (E_RNA)
where:
Base-Base interactions energy: -125.196
where: short stacking energy: -78.315
Base-Backbone interact. energy: -0.001
local terms energy: -80.516188
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -207.931691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.931691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.931691 (E_RNA)
where:
Base-Base interactions energy: -135.737
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.177
local terms energy: -72.018397
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -173.803784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.803784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.803784 (E_RNA)
where:
Base-Base interactions energy: -99.345
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.015
local terms energy: -74.443865
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -178.650406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.650406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.650406 (E_RNA)
where:
Base-Base interactions energy: -104.183
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.001
local terms energy: -74.466144
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.851
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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -157.172498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.172498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.172498 (E_RNA)
where:
Base-Base interactions energy: -90.087
where: short stacking energy: -46.600
Base-Backbone interact. energy: -0.408
local terms energy: -66.677296
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -7.832
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: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -166.032297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032297 (E_RNA)
where:
Base-Base interactions energy: -98.355
where: short stacking energy: -57.909
Base-Backbone interact. energy: -0.405
local terms energy: -67.273097
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -8.004
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: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -155.740881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.740881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.740881 (E_RNA)
where:
Base-Base interactions energy: -93.005
where: short stacking energy: -52.687
Base-Backbone interact. energy: -0.037
local terms energy: -62.698868
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -7.352
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: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -91.278750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.278750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.278750 (E_RNA)
where:
Base-Base interactions energy: -39.897
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.278
local terms energy: -51.103824
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.240884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240884 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -38.837
Base-Backbone interact. energy: -0.043
local terms energy: -46.360025
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -7.970
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -95.081907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081907 (E_RNA)
where:
Base-Base interactions energy: -45.170
where: short stacking energy: -20.788
Base-Backbone interact. energy: -0.362
local terms energy: -49.549644
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -212.130941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.130941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.130941 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.974
local terms energy: -72.088725
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -16.293
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: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -188.060456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060456 (E_RNA)
where:
Base-Base interactions energy: -106.337
where: short stacking energy: -62.084
Base-Backbone interact. energy: -0.125
local terms energy: -81.598876
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -18.533
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: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -174.615953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.615953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.615953 (E_RNA)
where:
Base-Base interactions energy: -100.504
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.178
local terms energy: -73.934031
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -179.596578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.596578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.596578 (E_RNA)
where:
Base-Base interactions energy: -106.285
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.009
local terms energy: -73.302625
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -157.722933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.722933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.722933 (E_RNA)
where:
Base-Base interactions energy: -84.933
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.070
local terms energy: -72.719611
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -150.698134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.698134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.698134 (E_RNA)
where:
Base-Base interactions energy: -83.615
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.039
local terms energy: -67.044565
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -148.644991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.644991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.644991 (E_RNA)
where:
Base-Base interactions energy: -85.127
where: short stacking energy: -41.781
Base-Backbone interact. energy: 0.061
local terms energy: -63.579193
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -95.635065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.635065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.635065 (E_RNA)
where:
Base-Base interactions energy: -45.270
where: short stacking energy: -37.903
Base-Backbone interact. energy: 0.479
local terms energy: -50.843837
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -87.657577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.657577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.657577 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.057
local terms energy: -57.049084
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -95.063378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.063378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.063378 (E_RNA)
where:
Base-Base interactions energy: -39.761
where: short stacking energy: -29.354
Base-Backbone interact. energy: 1.026
local terms energy: -56.327740
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -4.779
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: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -210.677556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.677556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.677556 (E_RNA)
where:
Base-Base interactions energy: -133.070
where: short stacking energy: -64.673
Base-Backbone interact. energy: -0.324
local terms energy: -77.283948
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -179.823652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.823652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.823652 (E_RNA)
where:
Base-Base interactions energy: -102.462
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.012
local terms energy: -77.349644
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -186.765446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.765446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.765446 (E_RNA)
where:
Base-Base interactions energy: -107.358
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.001
local terms energy: -79.406581
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -18.703
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: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -173.552080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.552080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.552080 (E_RNA)
where:
Base-Base interactions energy: -96.252
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.401
local terms energy: -76.899753
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -160.485597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.485597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.485597 (E_RNA)
where:
Base-Base interactions energy: -94.131
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.098
local terms energy: -66.256373
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -13.412
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: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -154.314207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.314207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.314207 (E_RNA)
where:
Base-Base interactions energy: -85.541
where: short stacking energy: -42.793
Base-Backbone interact. energy: -0.128
local terms energy: -68.646111
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -160.790796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.790796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.790796 (E_RNA)
where:
Base-Base interactions energy: -90.519
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.155
local terms energy: -70.116489
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -93.092625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.092625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.092625 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -34.833
Base-Backbone interact. energy: -0.203
local terms energy: -56.840854
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -82.925938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.925938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.925938 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.139
local terms energy: -53.132848
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -82.606061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.606061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.606061 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.188
local terms energy: -51.805419
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -2.138
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: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -208.087179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087179 (E_RNA)
where:
Base-Base interactions energy: -129.356
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.612
local terms energy: -78.119320
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -12.356
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: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -175.232968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.232968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.232968 (E_RNA)
where:
Base-Base interactions energy: -98.741
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.002
local terms energy: -76.489816
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -19.728
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: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -173.167799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.167799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.167799 (E_RNA)
where:
Base-Base interactions energy: -101.387
where: short stacking energy: -50.285
Base-Backbone interact. energy: -0.022
local terms energy: -71.758633
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -5.493
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: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -172.068575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.068575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.068575 (E_RNA)
where:
Base-Base interactions energy: -100.635
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.305
local terms energy: -71.128218
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -166.257241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.257241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.257241 (E_RNA)
where:
Base-Base interactions energy: -92.895
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.105
local terms energy: -73.256558
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -163.941101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.941101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.941101 (E_RNA)
where:
Base-Base interactions energy: -102.788
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.583
local terms energy: -60.570062
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -137.339371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.339371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.339371 (E_RNA)
where:
Base-Base interactions energy: -80.794
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.377
local terms energy: -56.168227
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -88.551902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.551902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.551902 (E_RNA)
where:
Base-Base interactions energy: -33.529
where: short stacking energy: -29.864
Base-Backbone interact. energy: -0.175
local terms energy: -54.847866
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -123.281601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.281601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.281601 (E_RNA)
where:
Base-Base interactions energy: -64.444
where: short stacking energy: -44.329
Base-Backbone interact. energy: -0.102
local terms energy: -58.736059
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.357
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: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -85.291895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.291895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.291895 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -12.571
Base-Backbone interact. energy: -0.551
local terms energy: -55.416666
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: 2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -208.256850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.256850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256850 (E_RNA)
where:
Base-Base interactions energy: -137.996
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.947
local terms energy: -69.314077
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -178.841227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.841227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.841227 (E_RNA)
where:
Base-Base interactions energy: -107.254
where: short stacking energy: -66.938
Base-Backbone interact. energy: 1.231
local terms energy: -72.817933
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -177.400853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.400853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.400853 (E_RNA)
where:
Base-Base interactions energy: -109.787
where: short stacking energy: -62.390
Base-Backbone interact. energy: -0.078
local terms energy: -67.535419
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -177.937571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.937571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.937571 (E_RNA)
where:
Base-Base interactions energy: -105.490
where: short stacking energy: -64.592
Base-Backbone interact. energy: -0.006
local terms energy: -72.441249
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -159.615547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.615547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.615547 (E_RNA)
where:
Base-Base interactions energy: -98.456
where: short stacking energy: -53.075
Base-Backbone interact. energy: 1.515
local terms energy: -62.674982
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -9.590
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: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -149.775460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.775460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.775460 (E_RNA)
where:
Base-Base interactions energy: -94.201
where: short stacking energy: -51.347
Base-Backbone interact. energy: -0.128
local terms energy: -55.446575
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.762
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: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -150.484718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.484718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.484718 (E_RNA)
where:
Base-Base interactions energy: -87.120
where: short stacking energy: -45.983
Base-Backbone interact. energy: -0.587
local terms energy: -62.777922
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -98.626993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.626993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.626993 (E_RNA)
where:
Base-Base interactions energy: -39.065
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.275
local terms energy: -59.286922
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -93.693117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693117 (E_RNA)
where:
Base-Base interactions energy: -41.113
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.056
local terms energy: -52.523459
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.554383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.554383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.554383 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -25.918
Base-Backbone interact. energy: -0.211
local terms energy: -46.398067
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -206.156050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.156050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.156050 (E_RNA)
where:
Base-Base interactions energy: -135.334
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.750
local terms energy: -70.071936
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -168.260202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.260202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.260202 (E_RNA)
where:
Base-Base interactions energy: -95.784
where: short stacking energy: -50.818
Base-Backbone interact. energy: -0.131
local terms energy: -72.345372
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -10.442
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: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -179.997954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.997954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.997954 (E_RNA)
where:
Base-Base interactions energy: -106.736
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.004
local terms energy: -73.258185
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -159.398885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.398885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.398885 (E_RNA)
where:
Base-Base interactions energy: -96.950
where: short stacking energy: -49.945
Base-Backbone interact. energy: -0.608
local terms energy: -61.841325
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -155.209542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.209542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.209542 (E_RNA)
where:
Base-Base interactions energy: -95.576
where: short stacking energy: -50.803
Base-Backbone interact. energy: -0.207
local terms energy: -59.426104
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -149.533191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.533191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.533191 (E_RNA)
where:
Base-Base interactions energy: -82.103
where: short stacking energy: -42.965
Base-Backbone interact. energy: -0.284
local terms energy: -67.145741
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -155.146492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.146492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.146492 (E_RNA)
where:
Base-Base interactions energy: -88.639
where: short stacking energy: -49.127
Base-Backbone interact. energy: -0.289
local terms energy: -66.217547
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -89.374196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.374196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.374196 (E_RNA)
where:
Base-Base interactions energy: -37.199
where: short stacking energy: -25.353
Base-Backbone interact. energy: -0.287
local terms energy: -51.888548
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -10.560
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: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -88.109649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109649 (E_RNA)
where:
Base-Base interactions energy: -34.213
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.049
local terms energy: -53.847003
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -74.431808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.431808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.431808 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -27.633
Base-Backbone interact. energy: 0.680
local terms energy: -47.479223
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -214.267897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.267897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.267897 (E_RNA)
where:
Base-Base interactions energy: -134.223
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.575
local terms energy: -79.470042
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -196.219202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.219202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.219202 (E_RNA)
where:
Base-Base interactions energy: -116.890
where: short stacking energy: -66.968
Base-Backbone interact. energy: 0.538
local terms energy: -79.867442
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -19.901
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: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -172.499591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.499591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.499591 (E_RNA)
where:
Base-Base interactions energy: -96.041
where: short stacking energy: -55.994
Base-Backbone interact. energy: -0.427
local terms energy: -76.031011
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -175.529493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.529493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.529493 (E_RNA)
where:
Base-Base interactions energy: -105.652
where: short stacking energy: -64.067
Base-Backbone interact. energy: -0.027
local terms energy: -69.850328
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -171.572823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.572823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.572823 (E_RNA)
where:
Base-Base interactions energy: -101.223
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.070
local terms energy: -70.280031
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -16.191
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: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -166.365027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.365027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.365027 (E_RNA)
where:
Base-Base interactions energy: -95.777
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.005
local terms energy: -70.583037
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -132.405804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.405804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.405804 (E_RNA)
where:
Base-Base interactions energy: -70.789
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.226
local terms energy: -61.391052
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -98.788888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.788888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.788888 (E_RNA)
where:
Base-Base interactions energy: -39.287
where: short stacking energy: -39.987
Base-Backbone interact. energy: 0.509
local terms energy: -60.010428
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -86.253004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.253004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.253004 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -32.462
Base-Backbone interact. energy: 0.784
local terms energy: -54.355378
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -3.755
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: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -84.569849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.569849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.569849 (E_RNA)
where:
Base-Base interactions energy: -30.452
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.054
local terms energy: -54.063400
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -216.537171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.537171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.537171 (E_RNA)
where:
Base-Base interactions energy: -137.321
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.430
local terms energy: -78.786349
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -20.975
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: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -190.978877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.978877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.978877 (E_RNA)
where:
Base-Base interactions energy: -114.331
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.009
local terms energy: -76.638525
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -180.014179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.014179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.014179 (E_RNA)
where:
Base-Base interactions energy: -106.947
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.018
local terms energy: -73.049098
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -16.709
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: 460
Temperature: 1.050000
Total energy: -167.430525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.430525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.430525 (E_RNA)
where:
Base-Base interactions energy: -99.993
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.368
local terms energy: -67.069195
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -182.271185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.271185 (E_RNA)
where:
Base-Base interactions energy: -111.708
where: short stacking energy: -57.820
Base-Backbone interact. energy: -0.134
local terms energy: -70.428980
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -154.240890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.240890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.240890 (E_RNA)
where:
Base-Base interactions energy: -87.112
where: short stacking energy: -43.559
Base-Backbone interact. energy: -0.115
local terms energy: -67.013776
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -11.586
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: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -110.484553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.484553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.484553 (E_RNA)
where:
Base-Base interactions energy: -52.147
where: short stacking energy: -52.147
Base-Backbone interact. energy: 0.845
local terms energy: -59.182697
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -135.815615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.815615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.815615 (E_RNA)
where:
Base-Base interactions energy: -75.314
where: short stacking energy: -39.749
Base-Backbone interact. energy: -0.887
local terms energy: -59.614467
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -79.101578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.101578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.101578 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.035
local terms energy: -49.544922
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: 0.836
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: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -82.313440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.313440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.313440 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -24.806
Base-Backbone interact. energy: -0.309
local terms energy: -45.391509
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: 0.688
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: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -208.139410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.139410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.139410 (E_RNA)
where:
Base-Base interactions energy: -130.715
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.943
local terms energy: -76.481808
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -190.735824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.735824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735824 (E_RNA)
where:
Base-Base interactions energy: -111.799
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.098
local terms energy: -78.838149
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -166.269692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.269692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.269692 (E_RNA)
where:
Base-Base interactions energy: -98.442
where: short stacking energy: -46.695
Base-Backbone interact. energy: -0.450
local terms energy: -67.377155
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -192.937822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.937822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.937822 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.002
local terms energy: -74.989522
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -19.892
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: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -176.148890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.148890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.148890 (E_RNA)
where:
Base-Base interactions energy: -106.269
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.085
local terms energy: -69.795153
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -153.267242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.267242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.267242 (E_RNA)
where:
Base-Base interactions energy: -92.972
where: short stacking energy: -42.260
Base-Backbone interact. energy: -0.220
local terms energy: -60.074623
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -101.270026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.270026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.270026 (E_RNA)
where:
Base-Base interactions energy: -57.154
where: short stacking energy: -35.762
Base-Backbone interact. energy: -0.239
local terms energy: -43.876644
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -8.224
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -3.923
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: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -137.839910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.839910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.839910 (E_RNA)
where:
Base-Base interactions energy: -82.141
where: short stacking energy: -45.470
Base-Backbone interact. energy: 1.338
local terms energy: -57.037279
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.474
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: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -85.517252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.517252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.517252 (E_RNA)
where:
Base-Base interactions energy: -22.977
where: short stacking energy: -22.538
Base-Backbone interact. energy: -0.212
local terms energy: -62.327844
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -81.853182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.853182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.853182 (E_RNA)
where:
Base-Base interactions energy: -31.871
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.038
local terms energy: -49.945141
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -221.872378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872378 (E_RNA)
where:
Base-Base interactions energy: -142.246
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.196
local terms energy: -79.430957
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -201.032864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.032864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.032864 (E_RNA)
where:
Base-Base interactions energy: -117.572
where: short stacking energy: -71.102
Base-Backbone interact. energy: -0.006
local terms energy: -83.454513
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -20.803
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: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -198.611179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.611179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.611179 (E_RNA)
where:
Base-Base interactions energy: -122.553
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.164
local terms energy: -75.894476
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -159.939810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.939810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.939810 (E_RNA)
where:
Base-Base interactions energy: -94.623
where: short stacking energy: -46.164
Base-Backbone interact. energy: -0.198
local terms energy: -65.119054
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -165.159928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.159928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.159928 (E_RNA)
where:
Base-Base interactions energy: -94.228
where: short stacking energy: -54.868
Base-Backbone interact. energy: -0.272
local terms energy: -70.659096
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -12.929
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: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -162.115659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.115659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.115659 (E_RNA)
where:
Base-Base interactions energy: -91.718
where: short stacking energy: -57.503
Base-Backbone interact. energy: 0.516
local terms energy: -70.913518
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.088
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: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -145.196296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.196296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.196296 (E_RNA)
where:
Base-Base interactions energy: -68.368
where: short stacking energy: -41.454
Base-Backbone interact. energy: -0.034
local terms energy: -76.794004
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -92.958069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.958069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.958069 (E_RNA)
where:
Base-Base interactions energy: -37.198
where: short stacking energy: -34.668
Base-Backbone interact. energy: -0.114
local terms energy: -55.645313
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.170
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: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -86.025382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.025382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.025382 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.262
local terms energy: -54.702840
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -80.111394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.111394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.111394 (E_RNA)
where:
Base-Base interactions energy: -25.109
where: short stacking energy: -25.109
Base-Backbone interact. energy: -0.075
local terms energy: -54.926897
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -211.551850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.551850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.551850 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.169
local terms energy: -80.552351
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -191.529547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.529547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.529547 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.110
local terms energy: -76.068939
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -182.816738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.816738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.816738 (E_RNA)
where:
Base-Base interactions energy: -108.575
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.004
local terms energy: -74.238269
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -170.642593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.642593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.642593 (E_RNA)
where:
Base-Base interactions energy: -95.067
where: short stacking energy: -56.500
Base-Backbone interact. energy: -0.104
local terms energy: -75.471359
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -152.907743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.907743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.907743 (E_RNA)
where:
Base-Base interactions energy: -84.197
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.110
local terms energy: -68.601330
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.059
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: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -158.612139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.612139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.612139 (E_RNA)
where:
Base-Base interactions energy: -89.920
where: short stacking energy: -47.634
Base-Backbone interact. energy: -0.632
local terms energy: -68.060914
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -151.042623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.042623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.042623 (E_RNA)
where:
Base-Base interactions energy: -91.928
where: short stacking energy: -36.502
Base-Backbone interact. energy: -0.140
local terms energy: -58.974718
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -96.463334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.463334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.463334 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.118
local terms energy: -58.037534
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -112.983670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.983670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.983670 (E_RNA)
where:
Base-Base interactions energy: -71.749
where: short stacking energy: -43.612
Base-Backbone interact. energy: -0.557
local terms energy: -40.678063
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -79.187826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.187826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.187826 (E_RNA)
where:
Base-Base interactions energy: -25.488
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.092
local terms energy: -53.607862
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -210.033197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.033197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.033197 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.683
local terms energy: -80.377059
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -10.458
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: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -196.957695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.957695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.957695 (E_RNA)
where:
Base-Base interactions energy: -123.078
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.001
local terms energy: -73.878991
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -17.783
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: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -177.978329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.978329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.978329 (E_RNA)
where:
Base-Base interactions energy: -110.616
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.125
local terms energy: -67.237478
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -164.639573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.639573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.639573 (E_RNA)
where:
Base-Base interactions energy: -98.562
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.046
local terms energy: -66.031025
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -164.985738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.985738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.985738 (E_RNA)
where:
Base-Base interactions energy: -100.746
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.112
local terms energy: -64.128286
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -150.497686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.497686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.497686 (E_RNA)
where:
Base-Base interactions energy: -84.824
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.326
local terms energy: -65.347907
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.909
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: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -91.531557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.531557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.531557 (E_RNA)
where:
Base-Base interactions energy: -36.567
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.301
local terms energy: -54.663924
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -150.564724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.564724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.564724 (E_RNA)
where:
Base-Base interactions energy: -97.203
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.136
local terms energy: -53.225859
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -1.517
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -89.308580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.308580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.308580 (E_RNA)
where:
Base-Base interactions energy: -31.022
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.058
local terms energy: -58.228379
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -83.342452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.342452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.342452 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -29.235
Base-Backbone interact. energy: -0.209
local terms energy: -53.898397
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -197.190060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.190060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.190060 (E_RNA)
where:
Base-Base interactions energy: -121.523
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.114
local terms energy: -75.552853
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -16.393
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: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -186.097885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.097885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.097885 (E_RNA)
where:
Base-Base interactions energy: -117.552
where: short stacking energy: -64.533
Base-Backbone interact. energy: 0.100
local terms energy: -68.645316
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -187.328422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.328422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.328422 (E_RNA)
where:
Base-Base interactions energy: -109.188
where: short stacking energy: -52.852
Base-Backbone interact. energy: -0.013
local terms energy: -78.127373
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -171.664411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.664411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.664411 (E_RNA)
where:
Base-Base interactions energy: -99.605
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.066
local terms energy: -71.992964
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.708
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: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -171.134752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.134752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.134752 (E_RNA)
where:
Base-Base interactions energy: -103.243
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.034
local terms energy: -67.857708
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -15.868
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: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -132.060849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.060849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.060849 (E_RNA)
where:
Base-Base interactions energy: -70.292
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.096
local terms energy: -61.672849
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -101.125733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.125733 (E_RNA)
where:
Base-Base interactions energy: -43.939
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.069
local terms energy: -57.118482
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -9.369
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: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -153.189239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.189239 (E_RNA)
where:
Base-Base interactions energy: -95.563
where: short stacking energy: -37.625
Base-Backbone interact. energy: -0.723
local terms energy: -56.903189
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -86.458091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458091 (E_RNA)
where:
Base-Base interactions energy: -22.744
where: short stacking energy: -22.744
Base-Backbone interact. energy: -0.106
local terms energy: -63.608274
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -80.809335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.809335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.809335 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -22.459
Base-Backbone interact. energy: -0.134
local terms energy: -53.416951
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -10.241
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: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -203.888228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.888228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.888228 (E_RNA)
where:
Base-Base interactions energy: -126.456
where: short stacking energy: -70.064
Base-Backbone interact. energy: -0.269
local terms energy: -77.163870
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -179.749638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.749638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.749638 (E_RNA)
where:
Base-Base interactions energy: -108.317
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.054
local terms energy: -71.378291
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -177.411831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.411831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.411831 (E_RNA)
where:
Base-Base interactions energy: -103.069
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.050
local terms energy: -74.292900
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -200.387790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.387790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.387790 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -64.840
Base-Backbone interact. energy: 0.010
local terms energy: -75.657641
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -181.035864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.035864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.035864 (E_RNA)
where:
Base-Base interactions energy: -101.236
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.066
local terms energy: -79.733745
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -143.882103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.882103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.882103 (E_RNA)
where:
Base-Base interactions energy: -78.524
where: short stacking energy: -46.135
Base-Backbone interact. energy: -0.251
local terms energy: -65.107244
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.386
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: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -141.162444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.162444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.162444 (E_RNA)
where:
Base-Base interactions energy: -85.639
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.251
local terms energy: -55.272595
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -85.875394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.875394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.875394 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.242
local terms energy: -51.705151
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.815
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: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -84.853047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853047 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.039
local terms energy: -54.627629
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -7.747
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: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -87.049250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.049250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.049250 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -31.702
Base-Backbone interact. energy: -0.112
local terms energy: -55.235237
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -201.465034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.465034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.465034 (E_RNA)
where:
Base-Base interactions energy: -124.141
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.017
local terms energy: -77.307702
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -174.180101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.180101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.180101 (E_RNA)
where:
Base-Base interactions energy: -100.041
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.357
local terms energy: -73.781957
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -169.442340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.442340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.442340 (E_RNA)
where:
Base-Base interactions energy: -101.201
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.012
local terms energy: -68.228971
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -194.619111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.619111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.619111 (E_RNA)
where:
Base-Base interactions energy: -118.196
where: short stacking energy: -67.094
Base-Backbone interact. energy: -0.127
local terms energy: -76.295614
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -171.936447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.936447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.936447 (E_RNA)
where:
Base-Base interactions energy: -106.224
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.162
local terms energy: -65.550592
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -14.460
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: 467
Temperature: 1.150000
Total energy: -146.409232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.409232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.409232 (E_RNA)
where:
Base-Base interactions energy: -82.655
where: short stacking energy: -52.677
Base-Backbone interact. energy: -0.083
local terms energy: -63.671085
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -143.806168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.806168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.806168 (E_RNA)
where:
Base-Base interactions energy: -83.772
where: short stacking energy: -46.494
Base-Backbone interact. energy: -0.027
local terms energy: -60.007335
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -84.012421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.012421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.012421 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -28.621
Base-Backbone interact. energy: -0.840
local terms energy: -54.550867
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -84.711383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.711383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.711383 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -27.287
Base-Backbone interact. energy: -0.035
local terms energy: -54.023306
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -97.051129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.051129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.051129 (E_RNA)
where:
Base-Base interactions energy: -48.918
where: short stacking energy: -33.598
Base-Backbone interact. energy: -0.105
local terms energy: -48.027516
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -181.460461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.460461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.460461 (E_RNA)
where:
Base-Base interactions energy: -105.445
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.006
local terms energy: -76.010313
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -194.513184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.513184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.513184 (E_RNA)
where:
Base-Base interactions energy: -125.790
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.303
local terms energy: -68.419904
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -202.654893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.654893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.654893 (E_RNA)
where:
Base-Base interactions energy: -122.974
where: short stacking energy: -63.168
Base-Backbone interact. energy: -0.031
local terms energy: -79.650702
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -170.862162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.862162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.862162 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.058
local terms energy: -71.198219
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -160.248367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.248367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.248367 (E_RNA)
where:
Base-Base interactions energy: -107.098
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.127
local terms energy: -53.024132
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -2.443
tors. eta vs tors. theta energy: -12.794
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: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -132.120695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.120695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.120695 (E_RNA)
where:
Base-Base interactions energy: -72.674
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.350
local terms energy: -59.095960
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -145.483356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.483356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.483356 (E_RNA)
where:
Base-Base interactions energy: -78.144
where: short stacking energy: -43.389
Base-Backbone interact. energy: -0.418
local terms energy: -66.921789
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -83.038840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038840 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -25.890
Base-Backbone interact. energy: -0.009
local terms energy: -57.140507
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -85.623165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.623165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.623165 (E_RNA)
where:
Base-Base interactions energy: -24.940
where: short stacking energy: -24.940
Base-Backbone interact. energy: -0.258
local terms energy: -60.425171
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -88.985774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.985774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.985774 (E_RNA)
where:
Base-Base interactions energy: -25.958
where: short stacking energy: -25.958
Base-Backbone interact. energy: -0.021
local terms energy: -63.007423
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -194.139686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.139686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.139686 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -68.555
Base-Backbone interact. energy: -0.019
local terms energy: -80.136248
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -196.017619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.017619 (E_RNA)
where:
Base-Base interactions energy: -121.692
where: short stacking energy: -70.644
Base-Backbone interact. energy: -0.390
local terms energy: -73.936215
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -186.899562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.899562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.899562 (E_RNA)
where:
Base-Base interactions energy: -120.706
where: short stacking energy: -53.348
Base-Backbone interact. energy: -0.078
local terms energy: -66.115827
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -150.939821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.939821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.939821 (E_RNA)
where:
Base-Base interactions energy: -89.839
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.037
local terms energy: -61.064121
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.858
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: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -163.876511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.876511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.876511 (E_RNA)
where:
Base-Base interactions energy: -98.808
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.024
local terms energy: -65.044945
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -12.022
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -167.155869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.155869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.155869 (E_RNA)
where:
Base-Base interactions energy: -108.022
where: short stacking energy: -51.866
Base-Backbone interact. energy: -1.770
local terms energy: -57.363907
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -131.570338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.570338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.570338 (E_RNA)
where:
Base-Base interactions energy: -69.960
where: short stacking energy: -31.032
Base-Backbone interact. energy: -0.203
local terms energy: -61.407626
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -4.487
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: 469
Temperature: 1.250000
Total energy: -98.289412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.289412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.289412 (E_RNA)
where:
Base-Base interactions energy: -41.876
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.031
local terms energy: -56.381906
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -87.477731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477731 (E_RNA)
where:
Base-Base interactions energy: -32.852
where: short stacking energy: -27.221
Base-Backbone interact. energy: -0.764
local terms energy: -53.861475
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -78.488843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.488843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.488843 (E_RNA)
where:
Base-Base interactions energy: -26.062
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.072
local terms energy: -52.355456
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -208.830666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.830666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.830666 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.005
local terms energy: -78.773093
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -19.177
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -194.933935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.933935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.933935 (E_RNA)
where:
Base-Base interactions energy: -114.615
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.007
local terms energy: -80.312774
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -184.088552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.088552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.088552 (E_RNA)
where:
Base-Base interactions energy: -113.280
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.440
local terms energy: -70.368591
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -9.889
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: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -164.236482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.236482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.236482 (E_RNA)
where:
Base-Base interactions energy: -94.982
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.807
local terms energy: -68.447615
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -169.809408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.809408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.809408 (E_RNA)
where:
Base-Base interactions energy: -104.928
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.027
local terms energy: -64.854495
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -167.840482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.840482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.840482 (E_RNA)
where:
Base-Base interactions energy: -101.459
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.127
local terms energy: -66.255279
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -107.411736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.411736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.411736 (E_RNA)
where:
Base-Base interactions energy: -42.868
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.653
local terms energy: -63.891417
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -85.713838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.713838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.713838 (E_RNA)
where:
Base-Base interactions energy: -31.490
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.349
local terms energy: -53.874872
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -93.785293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.785293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.785293 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.144
local terms energy: -53.972122
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -95.386192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.386192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.386192 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -35.007
Base-Backbone interact. energy: 0.300
local terms energy: -60.678767
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -192.973211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.973211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.973211 (E_RNA)
where:
Base-Base interactions energy: -121.922
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.544
local terms energy: -70.506965
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -192.358313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.358313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.358313 (E_RNA)
where:
Base-Base interactions energy: -117.617
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.064
local terms energy: -74.677271
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -170.999624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.999624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.999624 (E_RNA)
where:
Base-Base interactions energy: -104.371
where: short stacking energy: -61.247
Base-Backbone interact. energy: -0.141
local terms energy: -66.488311
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -161.981785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.981785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.981785 (E_RNA)
where:
Base-Base interactions energy: -95.894
where: short stacking energy: -50.351
Base-Backbone interact. energy: -0.038
local terms energy: -66.049768
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -158.400717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.400717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.400717 (E_RNA)
where:
Base-Base interactions energy: -92.075
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.004
local terms energy: -66.322127
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.397
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: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -155.856127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.856127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.856127 (E_RNA)
where:
Base-Base interactions energy: -88.066
where: short stacking energy: -43.991
Base-Backbone interact. energy: -0.192
local terms energy: -67.597975
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -92.582527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582527 (E_RNA)
where:
Base-Base interactions energy: -42.478
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.516
local terms energy: -49.588643
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -94.622718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.622718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.622718 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -27.455
Base-Backbone interact. energy: 0.503
local terms energy: -59.291650
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -84.330581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.330581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.330581 (E_RNA)
where:
Base-Base interactions energy: -31.359
where: short stacking energy: -31.359
Base-Backbone interact. energy: -0.091
local terms energy: -52.879983
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -78.830709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.830709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.830709 (E_RNA)
where:
Base-Base interactions energy: -29.813
where: short stacking energy: -23.774
Base-Backbone interact. energy: 1.154
local terms energy: -50.171726
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -194.200911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.200911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.200911 (E_RNA)
where:
Base-Base interactions energy: -112.653
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.438
local terms energy: -81.109672
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -199.816975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.816975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.816975 (E_RNA)
where:
Base-Base interactions energy: -123.801
where: short stacking energy: -69.781
Base-Backbone interact. energy: -0.006
local terms energy: -76.010125
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -190.774110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.774110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.774110 (E_RNA)
where:
Base-Base interactions energy: -117.618
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.083
local terms energy: -73.072957
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.717
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: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -146.619915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.619915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.619915 (E_RNA)
where:
Base-Base interactions energy: -78.860
where: short stacking energy: -52.843
Base-Backbone interact. energy: -0.004
local terms energy: -67.756133
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -172.159640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.159640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.159640 (E_RNA)
where:
Base-Base interactions energy: -103.487
where: short stacking energy: -58.095
Base-Backbone interact. energy: 0.672
local terms energy: -69.344284
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -13.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -160.851866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851866 (E_RNA)
where:
Base-Base interactions energy: -99.328
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.076
local terms energy: -61.448026
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -8.110
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -108.959292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.959292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.959292 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -44.517
Base-Backbone interact. energy: 1.077
local terms energy: -65.519250
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -85.833191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.833191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.833191 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -30.116
Base-Backbone interact. energy: 0.030
local terms energy: -50.852388
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -6.336
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: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -97.121455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.121455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.121455 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -35.841
Base-Backbone interact. energy: -0.040
local terms energy: -61.240037
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.507
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: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -80.342419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342419 (E_RNA)
where:
Base-Base interactions energy: -26.176
where: short stacking energy: -26.176
Base-Backbone interact. energy: 2.766
local terms energy: -56.931977
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: 4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -196.087468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.087468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.087468 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -60.071
Base-Backbone interact. energy: -0.246
local terms energy: -78.944201
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -13.174
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: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -202.838929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.838929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.838929 (E_RNA)
where:
Base-Base interactions energy: -126.554
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.107
local terms energy: -76.177453
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -22.003
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: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -185.804588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.804588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.804588 (E_RNA)
where:
Base-Base interactions energy: -108.284
where: short stacking energy: -66.660
Base-Backbone interact. energy: -0.007
local terms energy: -77.513014
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -167.222461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.222461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.222461 (E_RNA)
where:
Base-Base interactions energy: -97.745
where: short stacking energy: -54.452
Base-Backbone interact. energy: -0.695
local terms energy: -68.782458
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -11.957
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: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -150.180912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.180912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.180912 (E_RNA)
where:
Base-Base interactions energy: -87.975
where: short stacking energy: -46.615
Base-Backbone interact. energy: -0.145
local terms energy: -62.060338
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -161.917959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.917959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.917959 (E_RNA)
where:
Base-Base interactions energy: -97.564
where: short stacking energy: -51.938
Base-Backbone interact. energy: -0.025
local terms energy: -64.328835
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -95.528100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.528100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.528100 (E_RNA)
where:
Base-Base interactions energy: -39.493
where: short stacking energy: -35.107
Base-Backbone interact. energy: -0.121
local terms energy: -55.913269
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -87.233881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.233881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.233881 (E_RNA)
where:
Base-Base interactions energy: -43.328
where: short stacking energy: -28.343
Base-Backbone interact. energy: -0.212
local terms energy: -43.694660
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -6.999
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: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -80.237383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237383 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.054
local terms energy: -49.716646
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: 0.650
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: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -94.371860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.371860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.371860 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -34.818
Base-Backbone interact. energy: -0.043
local terms energy: -59.046523
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -7.748
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: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -206.631303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.631303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.631303 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -63.856
Base-Backbone interact. energy: 1.046
local terms energy: -72.684541
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -185.718174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.718174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.718174 (E_RNA)
where:
Base-Base interactions energy: -115.633
where: short stacking energy: -59.528
Base-Backbone interact. energy: -0.101
local terms energy: -69.984256
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -12.843
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: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -171.558655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.558655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.558655 (E_RNA)
where:
Base-Base interactions energy: -104.390
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.075
local terms energy: -67.093764
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -149.494022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.494022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.494022 (E_RNA)
where:
Base-Base interactions energy: -92.363
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.383
local terms energy: -56.747428
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -153.600066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.600066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.600066 (E_RNA)
where:
Base-Base interactions energy: -82.005
where: short stacking energy: -47.959
Base-Backbone interact. energy: -0.106
local terms energy: -71.489630
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -162.775527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.775527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.775527 (E_RNA)
where:
Base-Base interactions energy: -94.915
where: short stacking energy: -49.685
Base-Backbone interact. energy: 0.272
local terms energy: -68.132300
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -95.215666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.215666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.215666 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -33.177
Base-Backbone interact. energy: -0.183
local terms energy: -59.939246
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -131.626103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.626103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.626103 (E_RNA)
where:
Base-Base interactions energy: -81.261
where: short stacking energy: -41.776
Base-Backbone interact. energy: 0.601
local terms energy: -50.965390
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -82.189174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.189174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.189174 (E_RNA)
where:
Base-Base interactions energy: -21.620
where: short stacking energy: -21.620
Base-Backbone interact. energy: -0.065
local terms energy: -60.504181
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -79.901254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.901254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.901254 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.151
local terms energy: -45.324295
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -4.605
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -9.556
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: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -202.085887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.085887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.085887 (E_RNA)
where:
Base-Base interactions energy: -128.920
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.002
local terms energy: -73.164378
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -17.560
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: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -170.694287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.694287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.694287 (E_RNA)
where:
Base-Base interactions energy: -104.805
where: short stacking energy: -60.004
Base-Backbone interact. energy: 0.691
local terms energy: -66.580720
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -197.005646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.005646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.005646 (E_RNA)
where:
Base-Base interactions energy: -132.694
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.538
local terms energy: -63.774363
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -163.952110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.952110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.952110 (E_RNA)
where:
Base-Base interactions energy: -91.866
where: short stacking energy: -52.134
Base-Backbone interact. energy: -0.055
local terms energy: -72.030826
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -13.056
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: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -160.737361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.737361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.737361 (E_RNA)
where:
Base-Base interactions energy: -93.351
where: short stacking energy: -50.116
Base-Backbone interact. energy: -0.271
local terms energy: -67.115585
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -11.046
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: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -159.827779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.827779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.827779 (E_RNA)
where:
Base-Base interactions energy: -96.100
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.167
local terms energy: -63.561127
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -12.024
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: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -94.476805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.476805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.476805 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -38.601
Base-Backbone interact. energy: -0.223
local terms energy: -55.431079
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.227
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: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -87.018068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.018068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.018068 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.146
local terms energy: -54.039218
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -91.095120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095120 (E_RNA)
where:
Base-Base interactions energy: -37.843
where: short stacking energy: -37.843
Base-Backbone interact. energy: -0.112
local terms energy: -53.139871
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -5.509
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: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -81.364648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.364648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.364648 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.338
local terms energy: -49.418235
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -200.364677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.364677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.364677 (E_RNA)
where:
Base-Base interactions energy: -121.128
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.080
local terms energy: -79.157056
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -194.179267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.179267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.179267 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.122
local terms energy: -77.445322
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -188.663562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.663562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.663562 (E_RNA)
where:
Base-Base interactions energy: -118.165
where: short stacking energy: -50.039
Base-Backbone interact. energy: -0.695
local terms energy: -69.803694
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -157.122593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.122593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.122593 (E_RNA)
where:
Base-Base interactions energy: -91.621
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.167
local terms energy: -65.334246
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -159.294715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.294715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.294715 (E_RNA)
where:
Base-Base interactions energy: -93.602
where: short stacking energy: -50.552
Base-Backbone interact. energy: -0.447
local terms energy: -65.246042
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -155.431564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.431564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.431564 (E_RNA)
where:
Base-Base interactions energy: -92.409
where: short stacking energy: -52.832
Base-Backbone interact. energy: -0.745
local terms energy: -62.277216
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -99.273075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273075 (E_RNA)
where:
Base-Base interactions energy: -40.317
where: short stacking energy: -39.994
Base-Backbone interact. energy: -0.137
local terms energy: -58.819146
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -12.055
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -88.892812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.892812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.892812 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.192
local terms energy: -60.591015
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -6.977
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: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -97.897682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.897682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.897682 (E_RNA)
where:
Base-Base interactions energy: -37.363
where: short stacking energy: -37.363
Base-Backbone interact. energy: 1.174
local terms energy: -61.708583
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -75.842479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.842479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.842479 (E_RNA)
where:
Base-Base interactions energy: -22.531
where: short stacking energy: -17.400
Base-Backbone interact. energy: -0.176
local terms energy: -53.136222
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -3.207
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: 8
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -200.116672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.116672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.116672 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.070
local terms energy: -68.438528
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -18.265
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: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -188.658268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.658268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.658268 (E_RNA)
where:
Base-Base interactions energy: -114.451
where: short stacking energy: -53.237
Base-Backbone interact. energy: -0.426
local terms energy: -73.780904
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -160.102307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.102307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.102307 (E_RNA)
where:
Base-Base interactions energy: -85.063
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.517
local terms energy: -74.522920
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -186.017455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.017455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.017455 (E_RNA)
where:
Base-Base interactions energy: -113.522
where: short stacking energy: -64.150
Base-Backbone interact. energy: 0.879
local terms energy: -73.375109
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.894
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -158.766972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.766972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.766972 (E_RNA)
where:
Base-Base interactions energy: -88.346
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.098
local terms energy: -70.322850
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -137.737513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.737513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.737513 (E_RNA)
where:
Base-Base interactions energy: -73.906
where: short stacking energy: -42.009
Base-Backbone interact. energy: -0.124
local terms energy: -63.707811
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -96.613686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.613686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.613686 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -42.285
Base-Backbone interact. energy: -0.250
local terms energy: -54.078477
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -88.954870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954870 (E_RNA)
where:
Base-Base interactions energy: -40.334
where: short stacking energy: -40.334
Base-Backbone interact. energy: 0.397
local terms energy: -49.018785
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -77.076359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.076359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.076359 (E_RNA)
where:
Base-Base interactions energy: -25.011
where: short stacking energy: -25.011
Base-Backbone interact. energy: -0.201
local terms energy: -51.864235
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -5.711
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: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -76.883298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.883298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.883298 (E_RNA)
where:
Base-Base interactions energy: -25.414
where: short stacking energy: -25.414
Base-Backbone interact. energy: 0.087
local terms energy: -51.556954
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.431
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: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -205.481906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.481906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.481906 (E_RNA)
where:
Base-Base interactions energy: -127.977
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.016
local terms energy: -77.489031
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -21.641
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: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -199.128090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128090 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.216
local terms energy: -76.754443
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -185.165516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.165516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165516 (E_RNA)
where:
Base-Base interactions energy: -115.323
where: short stacking energy: -68.603
Base-Backbone interact. energy: -0.001
local terms energy: -69.842260
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -164.307635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.307635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.307635 (E_RNA)
where:
Base-Base interactions energy: -97.942
where: short stacking energy: -55.634
Base-Backbone interact. energy: 0.172
local terms energy: -66.536929
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -153.371821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.371821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.371821 (E_RNA)
where:
Base-Base interactions energy: -85.641
where: short stacking energy: -46.077
Base-Backbone interact. energy: -0.343
local terms energy: -67.388398
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -160.631572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.631572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.631572 (E_RNA)
where:
Base-Base interactions energy: -90.070
where: short stacking energy: -48.279
Base-Backbone interact. energy: -0.729
local terms energy: -69.832558
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -99.423233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.423233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.423233 (E_RNA)
where:
Base-Base interactions energy: -40.231
where: short stacking energy: -39.529
Base-Backbone interact. energy: -0.063
local terms energy: -59.129225
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -88.943921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.943921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.943921 (E_RNA)
where:
Base-Base interactions energy: -36.747
where: short stacking energy: -36.747
Base-Backbone interact. energy: 1.283
local terms energy: -53.480383
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -0.319
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -85.169537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169537 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.367
local terms energy: -54.615189
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -4.981
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.556987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.556987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.556987 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -27.211
Base-Backbone interact. energy: -0.523
local terms energy: -52.749262
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -4.819
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: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -207.279773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.279773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.279773 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -69.465
Base-Backbone interact. energy: -0.351
local terms energy: -73.898445
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -169.584154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.584154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.584154 (E_RNA)
where:
Base-Base interactions energy: -101.861
where: short stacking energy: -49.215
Base-Backbone interact. energy: -0.627
local terms energy: -67.096922
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -12.653
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: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -189.436557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.436557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.436557 (E_RNA)
where:
Base-Base interactions energy: -119.655
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.457
local terms energy: -69.325064
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -159.301467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.301467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.301467 (E_RNA)
where:
Base-Base interactions energy: -96.928
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.107
local terms energy: -62.266415
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -142.964621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.964621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.964621 (E_RNA)
where:
Base-Base interactions energy: -80.903
where: short stacking energy: -43.908
Base-Backbone interact. energy: 0.769
local terms energy: -62.830437
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -9.571
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: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -143.660062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.660062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.660062 (E_RNA)
where:
Base-Base interactions energy: -82.361
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.291
local terms energy: -61.007518
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -94.242302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.242302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.242302 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -32.271
Base-Backbone interact. energy: -0.250
local terms energy: -61.690042
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -89.522027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.522027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.522027 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.242
local terms energy: -60.717391
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -93.705552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.705552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.705552 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.129
local terms energy: -55.838543
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -90.305850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.305850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.305850 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -34.251
Base-Backbone interact. energy: -1.050
local terms energy: -51.554952
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -214.001176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001176 (E_RNA)
where:
Base-Base interactions energy: -147.460
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.312
local terms energy: -66.228799
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -14.771
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: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -182.448713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448713 (E_RNA)
where:
Base-Base interactions energy: -109.076
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.011
local terms energy: -73.362326
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.379
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: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -185.686988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.686988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.686988 (E_RNA)
where:
Base-Base interactions energy: -112.918
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.031
local terms energy: -72.737116
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -197.870892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.870892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.870892 (E_RNA)
where:
Base-Base interactions energy: -130.311
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.182
local terms energy: -67.377771
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.039
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: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -149.338535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.338535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.338535 (E_RNA)
where:
Base-Base interactions energy: -90.300
where: short stacking energy: -41.774
Base-Backbone interact. energy: -0.659
local terms energy: -58.380390
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -161.343880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.343880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.343880 (E_RNA)
where:
Base-Base interactions energy: -96.340
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.008
local terms energy: -64.995742
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -100.309327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.309327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.309327 (E_RNA)
where:
Base-Base interactions energy: -44.180
where: short stacking energy: -39.847
Base-Backbone interact. energy: -0.093
local terms energy: -56.035785
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -137.452459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.452459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.452459 (E_RNA)
where:
Base-Base interactions energy: -79.672
where: short stacking energy: -45.823
Base-Backbone interact. energy: -0.416
local terms energy: -57.363620
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -87.029330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029330 (E_RNA)
where:
Base-Base interactions energy: -31.492
where: short stacking energy: -31.492
Base-Backbone interact. energy: -0.080
local terms energy: -55.456939
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -99.331451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.331451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.331451 (E_RNA)
where:
Base-Base interactions energy: -58.162
where: short stacking energy: -38.757
Base-Backbone interact. energy: -0.269
local terms energy: -40.900547
where:
bonds (distance) C4'-P energy: -4.471
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -1.235
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -209.616767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616767 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.002
local terms energy: -75.273365
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -186.782919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.782919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.782919 (E_RNA)
where:
Base-Base interactions energy: -106.224
where: short stacking energy: -63.328
Base-Backbone interact. energy: -1.612
local terms energy: -78.946903
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -12.881
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: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -186.754718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.754718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.754718 (E_RNA)
where:
Base-Base interactions energy: -118.100
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.002
local terms energy: -68.652875
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.012
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: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -194.677905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.677905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.677905 (E_RNA)
where:
Base-Base interactions energy: -122.376
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.102
local terms energy: -72.200699
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -20.733
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: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -159.485252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.485252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.485252 (E_RNA)
where:
Base-Base interactions energy: -87.666
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.665
local terms energy: -71.154564
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -14.579
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: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -140.616335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.616335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.616335 (E_RNA)
where:
Base-Base interactions energy: -86.256
where: short stacking energy: -34.992
Base-Backbone interact. energy: -0.046
local terms energy: -54.314648
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.876
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: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -101.599598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.599598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.599598 (E_RNA)
where:
Base-Base interactions energy: -46.416
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.030
local terms energy: -55.153558
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -5.048
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: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -87.663991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.663991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.663991 (E_RNA)
where:
Base-Base interactions energy: -38.425
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.885
local terms energy: -48.354838
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -119.419538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.419538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.419538 (E_RNA)
where:
Base-Base interactions energy: -70.039
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.322
local terms energy: -49.058887
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -3.044
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: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -95.492012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492012 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.046
local terms energy: -59.481339
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -8.641
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: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -213.658871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.658871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.658871 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -69.022
Base-Backbone interact. energy: -1.762
local terms energy: -71.888325
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -197.290932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.290932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.290932 (E_RNA)
where:
Base-Base interactions energy: -120.681
where: short stacking energy: -67.660
Base-Backbone interact. energy: -0.268
local terms energy: -76.341607
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -192.682305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.682305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.682305 (E_RNA)
where:
Base-Base interactions energy: -119.699
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.462
local terms energy: -72.521203
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -179.158068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.158068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.158068 (E_RNA)
where:
Base-Base interactions energy: -111.610
where: short stacking energy: -62.173
Base-Backbone interact. energy: 0.461
local terms energy: -68.008351
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -142.494027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.494027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.494027 (E_RNA)
where:
Base-Base interactions energy: -83.754
where: short stacking energy: -50.230
Base-Backbone interact. energy: -0.163
local terms energy: -58.577896
where:
bonds (distance) C4'-P energy: -8.641
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -155.657384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.657384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.657384 (E_RNA)
where:
Base-Base interactions energy: -94.539
where: short stacking energy: -43.476
Base-Backbone interact. energy: -0.115
local terms energy: -61.003538
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -94.982732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982732 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.165
local terms energy: -61.864772
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -91.508703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508703 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -28.455
Base-Backbone interact. energy: -0.524
local terms energy: -55.815277
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -100.442513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.442513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.442513 (E_RNA)
where:
Base-Base interactions energy: -56.978
where: short stacking energy: -25.461
Base-Backbone interact. energy: -0.068
local terms energy: -43.396965
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -4.148
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: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -74.656698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.656698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.656698 (E_RNA)
where:
Base-Base interactions energy: -19.019
where: short stacking energy: -16.680
Base-Backbone interact. energy: -0.142
local terms energy: -55.495903
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -217.339271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.339271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.339271 (E_RNA)
where:
Base-Base interactions energy: -143.483
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.816
local terms energy: -73.040474
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -23.344
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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -215.484691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.484691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.484691 (E_RNA)
where:
Base-Base interactions energy: -141.319
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.398
local terms energy: -73.767798
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -195.194680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.194680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.194680 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.030
local terms energy: -77.598416
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -177.632003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632003 (E_RNA)
where:
Base-Base interactions energy: -105.794
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.726
local terms energy: -71.112157
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -136.452818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.452818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.452818 (E_RNA)
where:
Base-Base interactions energy: -84.401
where: short stacking energy: -56.369
Base-Backbone interact. energy: 0.181
local terms energy: -52.232646
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -148.958271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.958271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.958271 (E_RNA)
where:
Base-Base interactions energy: -81.728
where: short stacking energy: -43.321
Base-Backbone interact. energy: -0.292
local terms energy: -66.937494
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -107.378898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.378898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.378898 (E_RNA)
where:
Base-Base interactions energy: -47.854
where: short stacking energy: -47.854
Base-Backbone interact. energy: 2.157
local terms energy: -61.682275
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -82.070771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070771 (E_RNA)
where:
Base-Base interactions energy: -32.394
where: short stacking energy: -23.588
Base-Backbone interact. energy: -0.858
local terms energy: -48.818810
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -86.991872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.991872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.991872 (E_RNA)
where:
Base-Base interactions energy: -31.027
where: short stacking energy: -24.295
Base-Backbone interact. energy: -0.253
local terms energy: -55.711985
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -87.100113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.100113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.100113 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -31.695
Base-Backbone interact. energy: 2.082
local terms energy: -53.735688
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -211.483203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.483203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.483203 (E_RNA)
where:
Base-Base interactions energy: -133.516
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.527
local terms energy: -77.439764
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -23.865
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: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -213.539747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.539747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.539747 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -70.241
Base-Backbone interact. energy: -0.711
local terms energy: -81.020821
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.528
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: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -180.143148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.143148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.143148 (E_RNA)
where:
Base-Base interactions energy: -111.663
where: short stacking energy: -60.507
Base-Backbone interact. energy: 0.527
local terms energy: -69.007339
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -12.712
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: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -164.763558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.763558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.763558 (E_RNA)
where:
Base-Base interactions energy: -98.303
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.077
local terms energy: -66.382907
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -168.193921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.193921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.193921 (E_RNA)
where:
Base-Base interactions energy: -102.163
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.580
local terms energy: -65.451112
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -110.119265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.119265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.119265 (E_RNA)
where:
Base-Base interactions energy: -56.434
where: short stacking energy: -40.286
Base-Backbone interact. energy: -0.020
local terms energy: -53.664738
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -102.147085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147085 (E_RNA)
where:
Base-Base interactions energy: -48.796
where: short stacking energy: -37.359
Base-Backbone interact. energy: -0.316
local terms energy: -53.035520
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -93.042590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.042590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.042590 (E_RNA)
where:
Base-Base interactions energy: -33.517
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.405
local terms energy: -59.120601
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -5.049
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: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -84.157042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.157042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.157042 (E_RNA)
where:
Base-Base interactions energy: -30.182
where: short stacking energy: -24.837
Base-Backbone interact. energy: 1.900
local terms energy: -55.874832
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -77.022450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.022450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.022450 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -25.067
Base-Backbone interact. energy: 0.994
local terms energy: -47.622993
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -218.594489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.594489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.594489 (E_RNA)
where:
Base-Base interactions energy: -135.977
where: short stacking energy: -74.645
Base-Backbone interact. energy: -0.017
local terms energy: -82.600639
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -7.804
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: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -196.138340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.138340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.138340 (E_RNA)
where:
Base-Base interactions energy: -119.973
where: short stacking energy: -60.638
Base-Backbone interact. energy: -1.232
local terms energy: -74.932950
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -179.899056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.899056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.899056 (E_RNA)
where:
Base-Base interactions energy: -109.498
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.804
local terms energy: -69.596236
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -184.417200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.417200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.417200 (E_RNA)
where:
Base-Base interactions energy: -111.185
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.157
local terms energy: -73.074388
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -14.687
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: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -168.755949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.755949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.755949 (E_RNA)
where:
Base-Base interactions energy: -97.341
where: short stacking energy: -52.483
Base-Backbone interact. energy: 0.659
local terms energy: -72.073855
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -107.758906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.758906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.758906 (E_RNA)
where:
Base-Base interactions energy: -54.197
where: short stacking energy: -35.793
Base-Backbone interact. energy: -0.146
local terms energy: -53.415338
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -102.862765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.862765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.862765 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.076
local terms energy: -61.952047
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -97.837391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.837391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.837391 (E_RNA)
where:
Base-Base interactions energy: -47.254
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.172
local terms energy: -50.410756
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -87.655124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.655124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.655124 (E_RNA)
where:
Base-Base interactions energy: -34.882
where: short stacking energy: -34.882
Base-Backbone interact. energy: -0.053
local terms energy: -52.719545
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -72.821024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.821024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.821024 (E_RNA)
where:
Base-Base interactions energy: -18.768
where: short stacking energy: -19.768
Base-Backbone interact. energy: -0.116
local terms energy: -53.936904
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -2.227
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: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -219.902833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.902833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.902833 (E_RNA)
where:
Base-Base interactions energy: -133.413
where: short stacking energy: -84.760
Base-Backbone interact. energy: -0.002
local terms energy: -86.488524
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -14.122
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: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -185.991597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.991597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.991597 (E_RNA)
where:
Base-Base interactions energy: -106.708
where: short stacking energy: -50.907
Base-Backbone interact. energy: -0.053
local terms energy: -79.231300
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -13.992
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: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -169.355752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.355752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.355752 (E_RNA)
where:
Base-Base interactions energy: -102.843
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.026
local terms energy: -66.486379
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.157
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: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -193.057139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.057139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.057139 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -69.061
Base-Backbone interact. energy: -0.025
local terms energy: -66.894165
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -155.273251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.273251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.273251 (E_RNA)
where:
Base-Base interactions energy: -90.084
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.064
local terms energy: -65.125037
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -98.931618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.931618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.931618 (E_RNA)
where:
Base-Base interactions energy: -40.556
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.012
local terms energy: -58.363460
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -100.897840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.897840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.897840 (E_RNA)
where:
Base-Base interactions energy: -44.149
where: short stacking energy: -38.525
Base-Backbone interact. energy: 0.242
local terms energy: -56.991376
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -7.392
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: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -88.758459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.758459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.758459 (E_RNA)
where:
Base-Base interactions energy: -32.451
where: short stacking energy: -26.336
Base-Backbone interact. energy: -0.123
local terms energy: -56.184285
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -83.006966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.006966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.006966 (E_RNA)
where:
Base-Base interactions energy: -31.529
where: short stacking energy: -28.399
Base-Backbone interact. energy: 0.738
local terms energy: -52.215998
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -122.066320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.066320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.066320 (E_RNA)
where:
Base-Base interactions energy: -67.594
where: short stacking energy: -41.868
Base-Backbone interact. energy: -0.987
local terms energy: -53.485732
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -209.769460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.769460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.769460 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.103
local terms energy: -81.140588
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -10.269
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: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -195.593911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.593911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.593911 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.497
local terms energy: -69.646453
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -184.451492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.451492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.451492 (E_RNA)
where:
Base-Base interactions energy: -112.398
where: short stacking energy: -66.651
Base-Backbone interact. energy: -0.008
local terms energy: -72.044904
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -18.632
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: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -164.109510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.109510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.109510 (E_RNA)
where:
Base-Base interactions energy: -101.323
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.042
local terms energy: -62.744105
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -166.568030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.568030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.568030 (E_RNA)
where:
Base-Base interactions energy: -100.841
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.386
local terms energy: -65.341643
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -9.776
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: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -110.591821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.591821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.591821 (E_RNA)
where:
Base-Base interactions energy: -43.427
where: short stacking energy: -40.150
Base-Backbone interact. energy: 0.167
local terms energy: -67.332455
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -8.402
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: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -102.696542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.696542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.696542 (E_RNA)
where:
Base-Base interactions energy: -48.195
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.159
local terms energy: -54.342780
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -7.792
flat angles P-C4'-P energy: -9.012
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: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -94.333589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.333589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.333589 (E_RNA)
where:
Base-Base interactions energy: -38.158
where: short stacking energy: -36.363
Base-Backbone interact. energy: 1.080
local terms energy: -57.255152
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -77.084854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.084854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.084854 (E_RNA)
where:
Base-Base interactions energy: -27.949
where: short stacking energy: -23.998
Base-Backbone interact. energy: -0.357
local terms energy: -48.778202
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -84.529856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.529856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.529856 (E_RNA)
where:
Base-Base interactions energy: -34.129
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.247
local terms energy: -50.153542
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -207.727929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.727929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.727929 (E_RNA)
where:
Base-Base interactions energy: -125.453
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.102
local terms energy: -82.172730
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -200.263759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.263759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.263759 (E_RNA)
where:
Base-Base interactions energy: -124.748
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.268
local terms energy: -75.248251
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -166.848911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.848911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.848911 (E_RNA)
where:
Base-Base interactions energy: -105.599
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.031
local terms energy: -61.218930
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -179.724187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.724187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.724187 (E_RNA)
where:
Base-Base interactions energy: -113.806
where: short stacking energy: -67.172
Base-Backbone interact. energy: 0.408
local terms energy: -66.326655
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -176.809478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.809478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.809478 (E_RNA)
where:
Base-Base interactions energy: -102.069
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.007
local terms energy: -74.733105
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -102.657665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.657665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.657665 (E_RNA)
where:
Base-Base interactions energy: -48.474
where: short stacking energy: -36.737
Base-Backbone interact. energy: -0.161
local terms energy: -54.023317
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: 0.499
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -92.304867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.304867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.304867 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.054
local terms energy: -54.744909
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -95.256374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.256374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.256374 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -25.585
Base-Backbone interact. energy: -0.328
local terms energy: -53.985233
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -5.478
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: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -76.356626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.356626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.356626 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -15.218
Base-Backbone interact. energy: -0.301
local terms energy: -41.843931
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: 3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -75.207348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.207348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.207348 (E_RNA)
where:
Base-Base interactions energy: -30.722
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.149
local terms energy: -44.336101
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -201.452343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.452343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.452343 (E_RNA)
where:
Base-Base interactions energy: -118.989
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.276
local terms energy: -82.187365
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -13.793
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: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -204.213275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.213275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.213275 (E_RNA)
where:
Base-Base interactions energy: -119.926
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.416
local terms energy: -83.870998
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -20.399
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: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -181.973043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.973043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.973043 (E_RNA)
where:
Base-Base interactions energy: -104.223
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.047
local terms energy: -77.702873
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -183.071030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.071030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.071030 (E_RNA)
where:
Base-Base interactions energy: -109.338
where: short stacking energy: -66.945
Base-Backbone interact. energy: -0.077
local terms energy: -73.655639
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -158.743528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.743528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.743528 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.824
local terms energy: -62.573052
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -116.470476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.470476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.470476 (E_RNA)
where:
Base-Base interactions energy: -56.801
where: short stacking energy: -36.136
Base-Backbone interact. energy: -0.068
local terms energy: -59.601310
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -106.571620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.571620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.571620 (E_RNA)
where:
Base-Base interactions energy: -46.392
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.001
local terms energy: -60.179175
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -11.295
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: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -91.165530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.165530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.165530 (E_RNA)
where:
Base-Base interactions energy: -40.804
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.131
local terms energy: -50.231046
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -9.205
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -91.572093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.572093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.572093 (E_RNA)
where:
Base-Base interactions energy: -38.410
where: short stacking energy: -22.436
Base-Backbone interact. energy: -0.687
local terms energy: -52.475222
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.888
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: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -76.412837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.412837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.412837 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -31.665
Base-Backbone interact. energy: 0.918
local terms energy: -45.090869
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -206.286757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.286757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.286757 (E_RNA)
where:
Base-Base interactions energy: -124.066
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.428
local terms energy: -81.792882
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -207.264429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.264429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.264429 (E_RNA)
where:
Base-Base interactions energy: -128.614
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.000
local terms energy: -78.650764
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -14.188
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: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -183.626888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.626888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.626888 (E_RNA)
where:
Base-Base interactions energy: -110.339
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.053
local terms energy: -73.234987
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.480
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: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -174.026236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.026236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.026236 (E_RNA)
where:
Base-Base interactions energy: -103.200
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.080
local terms energy: -70.746248
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -112.143887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.143887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.143887 (E_RNA)
where:
Base-Base interactions energy: -50.713
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.252
local terms energy: -61.178897
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -149.742472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.742472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.742472 (E_RNA)
where:
Base-Base interactions energy: -91.691
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.043
local terms energy: -58.008670
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -100.265263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.265263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.265263 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -41.206
Base-Backbone interact. energy: 0.752
local terms energy: -59.811869
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -83.623654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.623654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.623654 (E_RNA)
where:
Base-Base interactions energy: -24.953
where: short stacking energy: -24.953
Base-Backbone interact. energy: -0.027
local terms energy: -58.643990
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -3.459
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: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -91.628648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.628648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.628648 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.067
local terms energy: -60.207890
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -86.851414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.851414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.851414 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -30.051
Base-Backbone interact. energy: 1.502
local terms energy: -41.643782
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -4.808
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: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -200.568287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.568287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.568287 (E_RNA)
where:
Base-Base interactions energy: -119.650
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.336
local terms energy: -80.582960
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -190.544592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.544592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.544592 (E_RNA)
where:
Base-Base interactions energy: -117.107
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.001
local terms energy: -73.436542
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -16.820
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: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -196.221782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.221782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.221782 (E_RNA)
where:
Base-Base interactions energy: -124.872
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.079
local terms energy: -71.270481
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -20.573
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: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -169.540024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.540024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.540024 (E_RNA)
where:
Base-Base interactions energy: -103.380
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.218
local terms energy: -65.941960
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -109.163330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163330 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -46.806
Base-Backbone interact. energy: -0.006
local terms energy: -62.351144
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -158.279934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.279934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.279934 (E_RNA)
where:
Base-Base interactions energy: -93.422
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.470
local terms energy: -64.388048
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -96.158168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.158168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.158168 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.150
local terms energy: -56.105152
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -6.898
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: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -92.003230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003230 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.070
local terms energy: -50.178391
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -80.467908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.467908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.467908 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -17.882
Base-Backbone interact. energy: -0.139
local terms energy: -54.119740
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -84.502573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.502573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.502573 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.054
local terms energy: -50.393224
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -2.072
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: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -202.677922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.677922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.677922 (E_RNA)
where:
Base-Base interactions energy: -128.745
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.730
local terms energy: -73.202536
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -192.211712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.211712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.211712 (E_RNA)
where:
Base-Base interactions energy: -113.259
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.161
local terms energy: -78.791895
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -174.753585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.753585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.753585 (E_RNA)
where:
Base-Base interactions energy: -103.015
where: short stacking energy: -58.859
Base-Backbone interact. energy: -0.633
local terms energy: -71.106301
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -187.648752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648752 (E_RNA)
where:
Base-Base interactions energy: -111.607
where: short stacking energy: -66.453
Base-Backbone interact. energy: 0.357
local terms energy: -76.398903
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -159.495951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.495951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.495951 (E_RNA)
where:
Base-Base interactions energy: -95.951
where: short stacking energy: -48.752
Base-Backbone interact. energy: -0.468
local terms energy: -63.077191
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -12.489
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: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -87.341669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.341669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.341669 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.409
local terms energy: -53.208215
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -101.141144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.141144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.141144 (E_RNA)
where:
Base-Base interactions energy: -46.722
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.099
local terms energy: -54.320284
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -7.743
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: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -98.704327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.704327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.704327 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.288
local terms energy: -56.802664
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -90.635413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.635413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.635413 (E_RNA)
where:
Base-Base interactions energy: -36.098
where: short stacking energy: -36.098
Base-Backbone interact. energy: -0.113
local terms energy: -54.424806
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -81.386589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.386589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.386589 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -31.302
Base-Backbone interact. energy: 0.087
local terms energy: -42.864096
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -210.274569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.274569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.274569 (E_RNA)
where:
Base-Base interactions energy: -134.112
where: short stacking energy: -70.823
Base-Backbone interact. energy: 0.152
local terms energy: -76.315113
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -17.205
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -197.623384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.623384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.623384 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -77.332
Base-Backbone interact. energy: -0.722
local terms energy: -71.937311
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -181.145582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.145582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.145582 (E_RNA)
where:
Base-Base interactions energy: -114.089
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.101
local terms energy: -66.955546
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -197.849911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.849911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.849911 (E_RNA)
where:
Base-Base interactions energy: -125.447
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.002
local terms energy: -72.400763
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -161.598273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.598273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.598273 (E_RNA)
where:
Base-Base interactions energy: -90.433
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.044
local terms energy: -71.120793
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -103.202915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.202915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.202915 (E_RNA)
where:
Base-Base interactions energy: -49.641
where: short stacking energy: -32.151
Base-Backbone interact. energy: -0.328
local terms energy: -53.233409
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -6.605
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: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -105.035148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.035148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.035148 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -41.168
Base-Backbone interact. energy: -1.059
local terms energy: -59.607957
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -92.245511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.245511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.245511 (E_RNA)
where:
Base-Base interactions energy: -42.397
where: short stacking energy: -31.286
Base-Backbone interact. energy: -0.308
local terms energy: -49.539953
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -9.729
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: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -82.851244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.851244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.851244 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.536
local terms energy: -54.202299
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -82.692802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692802 (E_RNA)
where:
Base-Base interactions energy: -31.780
where: short stacking energy: -21.954
Base-Backbone interact. energy: -0.382
local terms energy: -50.530610
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -201.260188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.260188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260188 (E_RNA)
where:
Base-Base interactions energy: -127.072
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.198
local terms energy: -73.990826
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -195.096685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.096685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.096685 (E_RNA)
where:
Base-Base interactions energy: -117.766
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.161
local terms energy: -77.168981
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -203.950608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.950608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.950608 (E_RNA)
where:
Base-Base interactions energy: -129.143
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.026
local terms energy: -74.781626
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -172.513878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.513878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.513878 (E_RNA)
where:
Base-Base interactions energy: -100.596
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.100
local terms energy: -71.817710
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -9.829
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: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -165.795346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.795346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.795346 (E_RNA)
where:
Base-Base interactions energy: -100.015
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.026
local terms energy: -65.753608
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.725
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: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -97.305968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.305968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.305968 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -30.208
Base-Backbone interact. energy: -0.003
local terms energy: -67.094959
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -93.575985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.575985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.575985 (E_RNA)
where:
Base-Base interactions energy: -37.784
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.235
local terms energy: -55.557085
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -104.056954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.056954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.056954 (E_RNA)
where:
Base-Base interactions energy: -44.383
where: short stacking energy: -44.383
Base-Backbone interact. energy: -0.436
local terms energy: -59.237450
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -79.823100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.823100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.823100 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -31.290
Base-Backbone interact. energy: -0.117
local terms energy: -48.417003
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: 0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -88.886273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.886273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.886273 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -28.417
Base-Backbone interact. energy: -0.019
local terms energy: -60.450036
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -206.282829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.282829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.282829 (E_RNA)
where:
Base-Base interactions energy: -127.077
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.170
local terms energy: -79.036030
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -194.835817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.835817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.835817 (E_RNA)
where:
Base-Base interactions energy: -116.433
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.039
local terms energy: -78.363727
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.631
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: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -189.484036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484036 (E_RNA)
where:
Base-Base interactions energy: -117.036
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.002
local terms energy: -72.446215
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -166.726327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.726327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.726327 (E_RNA)
where:
Base-Base interactions energy: -99.496
where: short stacking energy: -60.060
Base-Backbone interact. energy: -0.838
local terms energy: -66.392938
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -162.500396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.500396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.500396 (E_RNA)
where:
Base-Base interactions energy: -94.887
where: short stacking energy: -51.250
Base-Backbone interact. energy: -0.382
local terms energy: -67.231749
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -95.588597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.588597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.588597 (E_RNA)
where:
Base-Base interactions energy: -42.402
where: short stacking energy: -40.228
Base-Backbone interact. energy: -0.106
local terms energy: -53.079765
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -96.498685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.498685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.498685 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.094
local terms energy: -56.376504
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -88.451275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.451275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.451275 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -28.853
Base-Backbone interact. energy: -0.803
local terms energy: -58.667574
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -6.239
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -87.079463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079463 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.005
local terms energy: -50.429051
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -81.031156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031156 (E_RNA)
where:
Base-Base interactions energy: -24.170
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.056
local terms energy: -56.805283
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -8.259
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: 496
Temperature: 0.900000
Total energy: -225.596535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.596535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.596535 (E_RNA)
where:
Base-Base interactions energy: -141.284
where: short stacking energy: -73.862
Base-Backbone interact. energy: -0.045
local terms energy: -84.267468
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -12.994
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: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -199.446526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.446526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.446526 (E_RNA)
where:
Base-Base interactions energy: -119.127
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.002
local terms energy: -80.318093
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -183.814894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.814894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.814894 (E_RNA)
where:
Base-Base interactions energy: -102.541
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.062
local terms energy: -81.211423
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -186.547093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.547093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.547093 (E_RNA)
where:
Base-Base interactions energy: -113.608
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.058
local terms energy: -72.881806
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -21.120
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: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -111.184554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.184554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.184554 (E_RNA)
where:
Base-Base interactions energy: -44.661
where: short stacking energy: -44.661
Base-Backbone interact. energy: 0.385
local terms energy: -66.909165
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -13.530
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: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -172.696840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.696840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.696840 (E_RNA)
where:
Base-Base interactions energy: -94.908
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.094
local terms energy: -77.694689
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -89.839253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.839253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.839253 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -33.920
Base-Backbone interact. energy: 1.638
local terms energy: -48.445065
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: -0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -83.435882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.435882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.435882 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.075
local terms energy: -47.893479
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -77.495433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.495433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.495433 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -28.557
Base-Backbone interact. energy: 0.592
local terms energy: -49.531203
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -81.291717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.291717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.291717 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.150
local terms energy: -47.992323
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -204.358924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358924 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.076
local terms energy: -77.434017
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -194.499345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.499345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.499345 (E_RNA)
where:
Base-Base interactions energy: -124.012
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.058
local terms energy: -70.429368
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -17.239
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: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -162.319535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.319535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.319535 (E_RNA)
where:
Base-Base interactions energy: -95.765
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.582
local terms energy: -65.972504
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -187.272734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.272734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.272734 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -72.393
Base-Backbone interact. energy: -0.006
local terms energy: -60.811253
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -107.109452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.109452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.109452 (E_RNA)
where:
Base-Base interactions energy: -54.037
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.141
local terms energy: -52.931406
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.185
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: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -144.796722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.796722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.796722 (E_RNA)
where:
Base-Base interactions energy: -83.627
where: short stacking energy: -39.118
Base-Backbone interact. energy: 0.170
local terms energy: -61.340436
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -94.456249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.456249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.456249 (E_RNA)
where:
Base-Base interactions energy: -41.534
where: short stacking energy: -27.011
Base-Backbone interact. energy: -0.147
local terms energy: -52.775248
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -5.584
flat angles P-C4'-P energy: -7.314
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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -102.866995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.866995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.866995 (E_RNA)
where:
Base-Base interactions energy: -47.106
where: short stacking energy: -46.954
Base-Backbone interact. energy: -0.097
local terms energy: -55.663643
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -86.182717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.182717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.182717 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.145
local terms energy: -59.225774
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -3.597
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: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -90.201342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.201342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.201342 (E_RNA)
where:
Base-Base interactions energy: -43.140
where: short stacking energy: -38.849
Base-Backbone interact. energy: 2.813
local terms energy: -49.874377
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -197.268257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.268257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.268257 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -70.766
Base-Backbone interact. energy: 0.085
local terms energy: -76.312469
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -199.432135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.432135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.432135 (E_RNA)
where:
Base-Base interactions energy: -129.107
where: short stacking energy: -65.931
Base-Backbone interact. energy: -0.225
local terms energy: -70.100535
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -15.026
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: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -186.832614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832614 (E_RNA)
where:
Base-Base interactions energy: -107.673
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.085
local terms energy: -79.074843
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.997
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: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -177.026151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026151 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.145
local terms energy: -68.336826
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -161.968443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.968443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.968443 (E_RNA)
where:
Base-Base interactions energy: -93.437
where: short stacking energy: -45.676
Base-Backbone interact. energy: -0.227
local terms energy: -68.304138
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -147.954025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.954025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.954025 (E_RNA)
where:
Base-Base interactions energy: -87.351
where: short stacking energy: -46.495
Base-Backbone interact. energy: -0.448
local terms energy: -60.155422
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -11.957
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: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -103.525281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.525281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.525281 (E_RNA)
where:
Base-Base interactions energy: -47.369
where: short stacking energy: -47.369
Base-Backbone interact. energy: 0.106
local terms energy: -56.262736
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -109.739310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.739310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.739310 (E_RNA)
where:
Base-Base interactions energy: -47.538
where: short stacking energy: -47.538
Base-Backbone interact. energy: -0.001
local terms energy: -62.199836
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -12.368
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: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -83.978107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978107 (E_RNA)
where:
Base-Base interactions energy: -27.194
where: short stacking energy: -27.194
Base-Backbone interact. energy: -0.670
local terms energy: -56.114114
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -76.817272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.817272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.817272 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -30.083
Base-Backbone interact. energy: 1.432
local terms energy: -48.440042
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -5.967
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: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -195.654739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.654739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.654739 (E_RNA)
where:
Base-Base interactions energy: -117.437
where: short stacking energy: -71.213
Base-Backbone interact. energy: -0.012
local terms energy: -78.205199
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -201.834459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834459 (E_RNA)
where:
Base-Base interactions energy: -118.852
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.001
local terms energy: -82.981897
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -197.559253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.559253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.559253 (E_RNA)
where:
Base-Base interactions energy: -123.857
where: short stacking energy: -60.284
Base-Backbone interact. energy: -0.354
local terms energy: -73.347911
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -163.833173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833173 (E_RNA)
where:
Base-Base interactions energy: -98.571
where: short stacking energy: -50.400
Base-Backbone interact. energy: -0.190
local terms energy: -65.071696
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -8.137
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: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -158.767625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.767625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.767625 (E_RNA)
where:
Base-Base interactions energy: -98.486
where: short stacking energy: -47.267
Base-Backbone interact. energy: -0.072
local terms energy: -60.208812
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -12.003
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: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -166.110451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.110451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.110451 (E_RNA)
where:
Base-Base interactions energy: -100.345
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.758
local terms energy: -65.007205
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -90.600753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.600753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.600753 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -18.779
Base-Backbone interact. energy: 0.220
local terms energy: -58.152864
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -6.730
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: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -93.771395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.771395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.771395 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -31.933
Base-Backbone interact. energy: 0.155
local terms energy: -57.237925
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -92.600656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.600656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.600656 (E_RNA)
where:
Base-Base interactions energy: -39.365
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.146
local terms energy: -53.089959
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -71.763309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.763309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.763309 (E_RNA)
where:
Base-Base interactions energy: -32.229
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.189
local terms energy: -39.345493
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -3.220
flat angles P-C4'-P energy: -8.512
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: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -190.439430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.439430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.439430 (E_RNA)
where:
Base-Base interactions energy: -114.270
where: short stacking energy: -69.397
Base-Backbone interact. energy: -0.024
local terms energy: -76.145151
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -193.138795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.138795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.138795 (E_RNA)
where:
Base-Base interactions energy: -119.584
where: short stacking energy: -66.693
Base-Backbone interact. energy: -0.009
local terms energy: -73.546282
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -175.762633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.762633 (E_RNA)
where:
Base-Base interactions energy: -105.284
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.004
local terms energy: -70.474532
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -190.933186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.933186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.933186 (E_RNA)
where:
Base-Base interactions energy: -122.178
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.160
local terms energy: -68.595792
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -18.076
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: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -163.938491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.938491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.938491 (E_RNA)
where:
Base-Base interactions energy: -94.603
where: short stacking energy: -45.830
Base-Backbone interact. energy: -0.082
local terms energy: -69.253753
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -12.829
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: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -152.020805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.020805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.020805 (E_RNA)
where:
Base-Base interactions energy: -86.459
where: short stacking energy: -51.326
Base-Backbone interact. energy: -0.029
local terms energy: -65.532489
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -10.764
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: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -100.809587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.809587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.809587 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -38.389
Base-Backbone interact. energy: -0.171
local terms energy: -65.448966
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -6.062
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: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -96.669587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.669587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.669587 (E_RNA)
where:
Base-Base interactions energy: -38.565
where: short stacking energy: -36.963
Base-Backbone interact. energy: -0.081
local terms energy: -58.023655
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -103.519474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.519474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.519474 (E_RNA)
where:
Base-Base interactions energy: -47.808
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.154
local terms energy: -55.557956
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -89.147890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147890 (E_RNA)
where:
Base-Base interactions energy: -48.770
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.299
local terms energy: -40.078584
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -0.903
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -190.418063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.418063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.418063 (E_RNA)
where:
Base-Base interactions energy: -111.870
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.606
local terms energy: -77.942259
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -181.534200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.534200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.534200 (E_RNA)
where:
Base-Base interactions energy: -108.322
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.109
local terms energy: -73.103201
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -191.144141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.144141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.144141 (E_RNA)
where:
Base-Base interactions energy: -121.962
where: short stacking energy: -63.291
Base-Backbone interact. energy: -0.079
local terms energy: -69.103675
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -191.298358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.298358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.298358 (E_RNA)
where:
Base-Base interactions energy: -118.265
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.154
local terms energy: -72.878864
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -167.306121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.306121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.306121 (E_RNA)
where:
Base-Base interactions energy: -97.997
where: short stacking energy: -48.393
Base-Backbone interact. energy: -0.147
local terms energy: -69.162529
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -152.567971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.567971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.567971 (E_RNA)
where:
Base-Base interactions energy: -87.056
where: short stacking energy: -49.784
Base-Backbone interact. energy: -0.039
local terms energy: -65.473664
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -103.752366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.752366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.752366 (E_RNA)
where:
Base-Base interactions energy: -40.012
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.017
local terms energy: -63.723033
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -91.350229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.350229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.350229 (E_RNA)
where:
Base-Base interactions energy: -39.818
where: short stacking energy: -39.818
Base-Backbone interact. energy: 0.063
local terms energy: -51.595260
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -9.071
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: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -93.983313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.983313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.983313 (E_RNA)
where:
Base-Base interactions energy: -31.277
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.005
local terms energy: -62.702075
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -6.891
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: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -77.617511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.617511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.617511 (E_RNA)
where:
Base-Base interactions energy: -27.524
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.126
local terms energy: -49.968075
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 18247078
moves confirmed later: 21445690
all moves confirmed: 39692768
percent of confirmed moves: 4.961596
current total energy: -150.859927
recalc. total energy: -150.859927
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18567545
moves confirmed later: 21998472
all moves confirmed: 40566017
percent of confirmed moves: 5.070752
current total energy: -175.246398
recalc. total energy: -175.246398
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 21767161
moves confirmed later: 26509652
all moves confirmed: 48276813
percent of confirmed moves: 6.034602
current total energy: -156.424059
recalc. total energy: -156.424059
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 21884868
moves confirmed later: 26643500
all moves confirmed: 48528368
percent of confirmed moves: 6.066046
current total energy: -141.982817
recalc. total energy: -141.982817
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 21157337
moves confirmed later: 25693179
all moves confirmed: 46850516
percent of confirmed moves: 5.856314
current total energy: -95.417278
recalc. total energy: -95.417278
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 24046143
moves confirmed later: 29509823
all moves confirmed: 53555966
percent of confirmed moves: 6.694496
current total energy: -105.169341
recalc. total energy: -105.169341
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23692739
moves confirmed later: 29162142
all moves confirmed: 52854881
percent of confirmed moves: 6.606860
current total energy: -34.566051
recalc. total energy: -34.566051
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 21600400
moves confirmed later: 26127787
all moves confirmed: 47728187
percent of confirmed moves: 5.966023
current total energy: -46.351822
recalc. total energy: -46.351822
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 20396452
moves confirmed later: 24514396
all moves confirmed: 44910848
percent of confirmed moves: 5.613856
current total energy: -18.402800
recalc. total energy: -18.402800
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 18840148
moves confirmed later: 22530780
all moves confirmed: 41370928
percent of confirmed moves: 5.171366
current total energy: -51.446825
recalc. total energy: -51.446825
out arg RESULTS//1/vl30-22mer-5dcc6a31_01
Time of doing 8000000 iterations: 1692.209 seconds